α-D-Glucose 1-phosphate - ≥97% , CAS No.59-56-3

CAS: 59-56-3 Cat. No.: D694116 Formula: C₆H₁₃O₉P Molecular Weight: 260.14 EC Number: 200-435-8,260-154-1

GRADE & PURITY ≥97%

Synonyms

Glucose 1-(Dihydrogen Phosphate) | [3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Dihydrogen Phosphate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Glucose 1-(Dihydrogen Phosphate) | [3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Dihydrogen Phosphate

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Canonical Smiles

C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O

IUPAC Name

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

InChIKey

HXXFSFRBOHSIMQ-VFUOTHLCSA-N

INCHI

1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O

Alternate CAS

59-56-3,56401-20-8,6997-09-7 (mono-calcium salt)

MeSH Entry Terms

alpha-glucose-1-phosphate;beta-glucose-1-phosphate;glucose-1-phosphate;glucose-1-phosphate, (beta-D-Glc)-isomer;glucose-1-phosphate, (D-Glc)-isomer;glucose-1-phosphate, dipotassium salt;glucose-1-phosphate, dipotassium salt, (D-Glc)-isomer;glucose-1-phosp

Molecular Weight

260.14

Reaxy-Rn

25246047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25246047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Monosaccharide phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Monosaccharide phosphates
• Alternative Parents: Hexoses Monoalkyl phosphates Oxanes Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Monosaccharide phosphate - Monoalkyl phosphate - Organic phosphoric acid derivative - Oxane - Alkyl phosphate - Phosphoric acid ester - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
• External Descriptors: D-glucopyranose 1-phosphate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 260.140 g/mol
• XLogP3: -3.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 260.03 Da
• Monoisotopic Mass: 260.03 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1