Methyl beta-L-arabinopyranoside

HCID 102169

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Basic information

CAS: 1825-00-9
Standard SMILES: CO[C@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIKey: ZBDGHWFPLXXWRD-AZGQCCRYSA-N
Molecular formula: C6H12O5
Average molar mass: 164.16 g/mol
Monoisotopic mass: 164.06847348

Names & identifiers

Preferred name: Methyl beta-L-arabinopyranoside
IUPAC: (2S,3R,4S,5S)-2-methoxyoxane-3,4,5-triol
English name: Methyl β-L-Arabinopyranoside
Molecular formula: C6H12O5
Molecular weight: 164.16

Names & synonyms

1825-00-9Methyl beta-L-arabinopyranosideRefChem:1089546217-362-2(2S,3R,4S,5S)-2-Methoxytetrahydro-2H-pyran-3,4,5-triol(2S,3R,4S,5S)-2-methoxyoxane-3,4,5-triolbeta-L-Arabinopyranoside, methylMFCD00047547Methyl b-L-arabinopyranosideMETHYL-BETA-L-ARABINOPYRANOSIDEbeta-L-Methyl-arabinopyranoside.beta.-L-Arabinopyranoside, methyl

Show more names

β-L-Arabinopyranoside, methylNSC 25272Nemorubicina Impurity 1BETA-METHYL L-ARABINOSIDEmethyl á-l-arabinopyranosideMethyl β-L-ArabinopyranosideMETHYL SS-L-ARABINOPYRANOSIDEBETA-METHYL-L-ARABINOPYRANOSIDE

Methyl-B-L-arabinopyranosideMethyl .beta.-L-arabinopyranoside1-O-methyl-beta-L-arabinopyranose.beta.-L-Arabinopyranose methyl glycosideEINECS 217-362-2Methyl ?-arabinosideArabinopyranoside, methyl, .beta.-L-Methyl |?-L-Arabinopyranoside

Database identifiers

CAS: 1825-00-9
PubChem CID: 102169
EC Number: 217-362-2
Nikkaji: J109.316I

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 79.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 169 °C · 169°C
Boiling point: 314 · 314.0±42.0 °C(Predicted)
Density: 1.44 g/cm3 · 1.44 g/cm3
storage temp.: Refrigerator
solubility: Methanol (Slightly), Water (Slightly)
form: Solid
pka: 13.04 · 13.04±0.70(Predicted)
color: White to Off-White
BRN: 4658388 · 4658388
InChI: InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/s3
InChIKey: ZBDGHWFPLXXWRD-ZSYVZJKANA-N
SMILES: [C@H]1(OC)OC[C@H](O)[C@H](O)[C@H]1O |&1:0,5,7,9,r|
LogP: -0.44 · -0.440 (est)
CAS DataBase Reference: 1825 · 1825-00-9(CAS DataBase Reference)
Safety Statements: 22 · 22-24/25
HS Code: 29389090 · 29389090