D-galactose, 2,3,4,5,6-pentaacetate

HCID 81232

Notes Reactions

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Basic information

CAS: 6763-46-8
Standard SMILES: CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OC(C)=O
InChIKey: UAOKXEHOENRFMP-JJXSEGSLSA-N
Molecular formula: C16H22O11
Average molar mass: 390.34 g/mol
Monoisotopic mass: 390.11621152

Overview

RN given refers to 2,3,4,5,6-peracetate (D-Gal)-isomer

Names & identifiers

Preferred name: D-galactose, 2,3,4,5,6-pentaacetate
IUPAC: [(2R,3S,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate
English name: [(2R,3S,4S,5R)-1,2,4,5-tetraacetyloxy-6-oxo-hexan-3-yl] acetate
Molecular formula: C16H22O11
Molecular weight: 390.34

Names & synonyms

Galactose pentaacetate6763-46-8Galactose peracetateD-Galactose, 2,3,4,5,6-pentaacetateDTXSID70884334RefChem:130547DTXCID301023783[(2R,3S,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetateSCHEMBL421756AKOS015837931AKOS0159202872,3,4,5,6-penta-O-acetyl-D-galactose

Show more names

D-Galactose 2,3,4,5,6-pentaacetate[(2R,3S,4S,5R)-1,2,4,5-tetraacetyloxy-6-oxo-hexan-3-yl] acetate

Database identifiers

CAS: 6763-46-8
PubChem CID: 81232
DTXSID: DTXSID70884334
Nikkaji: J421.832I

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 149 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 15
Heavy atoms: 27
Formal charge: 0
Complexity: 583

Physicochemical properties

Melting point: 117 °C · 117 °C
Boiling point: 472 · 472.0±45.0 °C(Predicted)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
EPA Substance Registry System: 2 · D-Galactose, 2,3,4,5,6-pentaacetate (6763-46-8)
TSCA: TSCA listed