chempirical

Tetrabenzyl-voglibose

C38H45NO7CAS 115250-39-0627.78 g/mol

Open in Covalent MOL file
OOHOOOHNOHOH
AlcoholEtherSecondary amine

Properties

Molecular formula
C38H45NO7
Molar mass
627.78 g/mol
Exact mass
627.3196 Da
logP
4.41Crippen estimate
Polar surface area
109.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
17
Stereocentres
S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
115250-39-0
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(CO)CO
InChIKey
DYSHUNINHUTCLX-ILOBPARPSA-N
InChI
InChI=1S/C38H45NO7/c40-22-33(23-41)39-34-21-38(42,28-43-24-29-13-5-1-6-14-29)37(46-27-32-19-11-4-12-20-32)36(45-26-31-17-9-3-10-18-31)35(34)44-25-30-15-7-2-8-16-30/h1-20,33-37,39-42H,21-28H2/t34-,35-,36+,37-,38-/m0/s1

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

Names and synonyms

1 names
  • 2-(((1S,2S,3R,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)methyl)-5-hydroxycyclohexyl)amino)propane-1,3-diol

Work with Tetrabenzyl-voglibose

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

2-(Phenylmethoxy)-1,3-propanediol14690-00-740 % similar 3-(Benzyloxy)-1,2-propanediol13071-59-539 % similar (-)-3-Benzyloxy-1,2-propanediol17325-85-839 % similar 3-(Benzyloxy)-1,2-propanediol4799-67-139 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-937 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-937 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-337 % similar 3-(Benzyloxy)-1-propanol4799-68-236 % similar

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

Elsewhere

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