4-C-(Hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-erythro-pentofuranose

C16H22O6CAS 63593-03-3310.35 g/mol

Open in Covalent MOL file
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AcetalAlcoholEther

Properties

Molecular formula
C16H22O6
Molar mass
310.35 g/mol
Exact mass
310.1416 Da
logP
0.80Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 11 ECHA notifiers. Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
63593-03-3
SMILES
CC1(C)O[C@H]2OC(CO)(CO)[C@@H](OCc3ccccc3)[C@H]2O1
InChIKey
QVXXTLFHRGMIHD-RDBSUJKOSA-N
InChI
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

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Names and synonyms

2 names
  • α-D-Erythro-Pentofuranose, 4-C-(hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-
  • Furo[2,3-d]-1,3-dioxole, α-D-erythro-pentofuranose deriv.

Work with 4-C-(Hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-erythro-pentofuranose

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-O-(1-Methylethylidene)-4-c-[(phenylmethoxy)methyl]-3-o-(phenylmethyl)--l-lyxofuranose153186-10-886 % similar 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose53928-30-649 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-248 % similar N-((3Ar,4S,7S,8R,8ar)-4-(hydroxymethyl)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-D]oxepin-8-yl)acetamide1824718-03-739 % similar Phenylmethyl N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate274693-53-738 % similar ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)93379-48-738 % similar (S,S)-TADDOL93379-49-838 % similar (S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane16495-03-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Trepibutone41826-92-0

Elsewhere

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