3-O-Benzyl-4-(hydroxymethyl)-1,2-O-isopropylidene-ALPHA-D-ribofuranose - ≥97% , CAS No.63593-03-3

CAS: 63593-03-3 Cat. No.: A177011 Molecular Weight: 310.346 EC Number: 691-994-0

GRADE & PURITY ≥97%

Synonyms

P17282 | AC-32436 | 3-O-Benzyl-4-C-hydroxyMethyl-1,2-O-isopropylidene-alpha-D-ribofuranose | ((3aR,6S,6aR)-6-Benzyloxy-5-hydroxymethyl-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-methanol | DTXSID501120672 | SCHEMBL1096325 | 4-C-(hydroxymethyl)-1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

P17282 | AC-32436 | 3-O-Benzyl-4-C-hydroxyMethyl-1, 2-O-isopropylidene-alpha-D-ribofuranose | ((3aR, 6S, 6aR)-6-Benzyloxy-5-hydroxymethyl-2, 2-dimethyl-tetrahydro-furo[2, 3-d][1, 3]dioxol-5-yl)-methanol | DTXSID501120672 | SCHEMBL1096325 | 4-C-(hydroxymethyl)-1

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196884
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196884
• Canonical Smiles: CC1(OC2C(C(OC2O1)(CO)CO)OCC3=CC=CC=C3)C
• IUPAC Name: [(3aR,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
• InChIKey: QVXXTLFHRGMIHD-RDBSUJKOSA-N
• INCHI: 1S/C16H22O6/c1-15(2)20-12-13(19-8-11-6-4-3-5-7-11)16(9-17,10-18)22-14(12)21-15/h3-7,12-14,17-18H,8-10H2,1-2H3/t12-,13+,14+/m1/s1
• Isomeric SMILES: CC1(O[C@@H]2[C@@H](C(O[C@@H]2O1)(CO)CO)OCC3=CC=CC=C3)C
• Molecular Weight: 310.346
• Reaxy-Rn: 44417672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44417672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Ketals Monosaccharides Oxolanes 1,3-dioxolanes Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzylether - Ketal - Monosaccharide - Meta-dioxolane - Oxolane - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: Not available

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

• Molecular Weight: 310.340 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 310.142 Da
• Monoisotopic Mass: 310.142 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 375.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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