Methyl beta-D-ribofuranoside

HCID 81983CAS 7473-45-2

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Basic information

Standard SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: NALRCAPFICWVAQ-KVTDHHQDSA-N
Molecular formula: C6H12O5
Average molar mass: 164.16 g/mol
Monoisotopic mass: 164.06847348

Names & identifiers

Preferred name: Methyl beta-D-ribofuranoside
IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
English name: Methyl beta-D-ribofuranoside
Molecular formula: C6H12O5
Molecular weight: 164.16

Names & synonyms

Methyl beta-D-ribofuranoside7473-45-2EINECS 231-271-5NSC 400285Methyl .beta.-D-ribofuranosideRefChem:157803231-271-5Methyl b-D-Ribofuranosidemethyl |A-d-ribofuranosideMFCD00047075methyl -d-ribofuranoside(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxytetrahydrofuran-3,4-diol

Show more names

Methyl β-D-RibofuranosideMethyl β-Xylobioside-Amino-β-Resorcylate1-ME-D-Ribose1-OME-BETA-D-RIB-D-Altropyranoside

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diolMethyl ?-D-Ribofuranoside(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-methoxy-tetrahydrofuran-3,4-diolSCHEMBL271445Methyl beta-D-ribofuranoside, 97%AKOS006344687MS-20513Methyl pentofuranoside #

Database identifiers

CAS: 7473-45-2
PubChem CID: 81983
DTXSID: DTXSID301312174
EC Number: 231-271-5
Nikkaji: J278.878K

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 79.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 78 °C · 78 °C
Boiling point: 348.7 · 348.7±42.0 °C(Predicted)
Density: 1.4 · 1.40±0.1 g/cm3(Predicted)
refractive index: -51 ° · -51 ° (C=2, H2O)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Methanol (Slightly), Water (Slightly, Sonicated)
pka: 13.14 · 13.14±0.70(Predicted)
form: Powder
color: White to Off-white
Water Solubility: Soluble in water
InChI: InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5-,6-/s3
InChIKey: NALRCAPFICWVAQ-QNEKUJPYNA-N
SMILES: [C@H]1(CO)O[C@@H](OC)[C@H](O)[C@@H]1O |&1:0,4,7,9,r|
CAS DataBase Reference: 7473 · 7473-45-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29329990 · 29329990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information.beta.-D-Ribofuranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information.beta.-D-Ribofuranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk: 3
hs_code: 29329990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesD-Ribose was converted into methyl 5-O-benzyl-beta-D-ribofuranoside and this, on tin-mediated allylation, gave a mixture of the 2-O-allyl and 3-O-allyl derivatives which were separated by chromatography.