α,β-Methyleneadenosine 5′-diphosphate sodium salt - ≥98%(HPLC) , CAS No.104835-70-3

CAS: 104835-70-3 Cat. No.: M690988 Molecular Weight: 425.23 PubChem CID: 92199
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Storage
Room temperature
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Size
Status
Price
Qty
5mg
M690988-5mg
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$995.90
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥98%(HPLC)
Storage
Room temperature
Purity
≥98%(HPLC)
Product Properties
ALogP-4.8
Names and Identifiers
Canonical SmilesC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N
IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
InChIKeyOLCWZBFDIYXLAA-IOSLPCCCSA-N
INCHI1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Isomeric SMILES C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N
PubChem CID 92199
Molecular Weight 425.23

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
SubclassPurine ribonucleotides
Intermediate Tree Nodes Not available
Direct ParentPurine ribonucleoside monophosphates
Alternative Parents Glycosylamines  6-aminopurines  Pentoses  Bisphosphonates  Aminopyrimidines and derivatives  Phosphonic acid esters  Imidolactams  N-substituted imidazoles  Organic phosphonic acids  Heteroaromatic compounds  Tetrahydrofurans  Secondary alcohols  1,2-diols  Azacyclic compounds  Oxacyclic compounds  Organic oxides  Primary amines  Hydrocarbon derivatives  Organophosphorus compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine ribonucleoside monophosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Bisphosphonate - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Phosphonic acid ester - Pyrimidine - Imidolactam - Tetrahydrofuran - Azole - Imidazole - Organophosphonic acid derivative - Organophosphonic acid - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Azacycle - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organophosphorus compound - Amine - Alcohol - Primary amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
External Descriptors nucleoside diphosphate analogue
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY1 Tchem Purinergic receptor P2Y1 (1327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLCG1 Tchem Phospholipase C-gamma-1 (184 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLCB3 Tbio Phospholipase C-beta-3 (157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ENPP1 Tchem Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (635 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NT5E Tchem 5'-nucleotidase (622 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ENTPD1 Ectonucleoside triphosphate diphosphohydrolase 1 (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight425.230 g/mol
XLogP3-4.800
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass425.05 Da
Monoisotopic Mass425.05 Da
Topological Polar Surface Area223.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity637.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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