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

Acetal Alcohol Ether

Properties

Molecular formula: C₁₆H₂₂O₆
Molar mass: 310.35 g/mol
Exact mass: 310.1416 Da
logP: 0.80Crippen estimate
Polar surface area: 77.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5
Stereocentres: R, S, Rin SMILES atom order

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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)-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 Phenylmethyl N-[(3as,4R,6S,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate274693-53-738 % similar (S,S)-Taddol93379-49-838 % similar 2-(Phenylmethoxy)-1,3-propanediol14690-00-738 % similar (3R,4S,5S)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)tetrahydrofuran-2,3-diyl diacetate1300589-59-638 % similar Methyl 2,3,4-tri-O-benzyl-α-D-glucopyranoside53008-65-436 % similar N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine2016-04-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Trepibutone41826-92-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook