1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose

C₃₀H₃₄O₆CAS 53928-30-6490.60 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₃₀H₃₄O₆
Molar mass: 490.60 g/mol
Exact mass: 490.2355 Da
logP: 5.25Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 11
Stereocentres: R, R, R, S, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled50% of notifiers
H350 May cause cancer50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P316, P318, P321, P330, P337+P317, P403+P233, P405, P501

Identifiers

CAS number

53928-30-6

SMILES

CC1(C)O[C@H]2O[C@H]([C@@H](COCc3ccccc3)OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1

InChIKey

RNPMTPOOMRPILB-XYPQWYOHSA-N

InChI

InChI=1S/C30H34O6/c1-30(2)35-28-27(33-20-24-16-10-5-11-17-24)26(34-29(28)36-30)25(32-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-29H,18-21H2,1-2H3/t25-,26-,27+,28-,29-/m1/s1

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Names and synonyms

4 names

α-D-Glucofuranose, 1,2-O-(1-methylethylidene)-3,5,6-tris-O-(phenylmethyl)-
Glucofuranose, 3,5,6-tri-O-benzyl-1,2-O-isopropylidene-
Furo[2,3-d]-1,3-dioxole, α-D-glucofuranose deriv.
1,2-O-Isopropylidene-3,5,6-tri-O-benzyl-α-D-glucofuranose

Work with 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-276 % similar Tribenoside10310-32-456 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-255 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-951 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-951 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-351 % similar 1,2-O-(1-Methylethylidene)-4-c-[(phenylmethoxy)methyl]-3-o-(phenylmethyl)--l-lyxofuranose153186-10-851 % similar 4-C-(Hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-erythro-pentofuranose63593-03-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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