chempirical

Rosavin

C20H28O10CAS 84954-92-7428.43 g/mol

Open in Covalent MOL file
OHOHOOOOHOHOOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C20H28O10
Molar mass
428.43 g/mol
Exact mass
428.1682 Da
Melting point
97–99 °C
logP
-2.02Crippen estimate
Polar surface area
158.3 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
7
Stereocentres
S, R, R, R, S, S, S, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
84954-92-7
SMILES
O[C@@H]1[C@@H](O)[C@H](OC/C=C/c2ccccc2)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey
RINHYCZCUGCZAJ-IPXOVKFZSA-N
InChI
InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • β-D-Glucopyranoside, (2E)-3-phenyl-2-propen-1-yl 6-O-α-L-arabinopyranosyl-
  • β-D-Glucopyranoside, 3-phenyl-2-propenyl 6-O-α-L-arabinopyranosyl-, (E)-
  • β-D-Glucopyranoside, (2E)-3-phenyl-2-propenyl 6-O-α-L-arabinopyranosyl-
  • (2E)-3-Phenyl-2-propen-1-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside
  • Rosavidin

Work with Rosavin

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

Rosin (chemical)85026-55-769 % similar Phenylmethyl β-L-arabinopyranoside7473-38-349 % similar Levoglucosan498-07-747 % similar Isomaltitol534-73-646 % similar Isomalt64519-82-046 % similar Manninotriose13382-86-046 % similar Amygdalin29883-15-643 % similar Isomaltose499-40-142 % similar

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

Same formula

Rosarin84954-93-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia