ChemSpider 2D Image | (3beta,25R)-Spirost-5-en-3-yl 6-O-acetyl-2-O-(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C43H66O14

(3β,25R)-Spirost-5-en-3-yl 6-O-acetyl-2-O-(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC43H66O14
  • Average mass806.976 Da
  • Monoisotopic mass806.445251 Da
  • ChemSpider ID10003511

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,25R)-Spirost-5-en-3-yl 6-O-acetyl-2-O-(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-6-O-acetyl-2-O-(4-O-acetyl-6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-2-O-(4-O-acétyl-6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)-, 6-acetate [ACD/Index Name]
[(2R,3S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]oxan-2-yl]methyl acetate
[(2R,3S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]oxan-2-yl]methyl acetatediosgenyl 4-O-acetyl-α-L-rhamnopyranosyl-(1->2)-6-O-acetyl-β-D-glucopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 848.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 246.6±27.8 °C
Index of Refraction: 1.582
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18427.35
ACD/KOC (pH 5.5): 39337.36
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18427.09
ACD/KOC (pH 7.4): 39336.80
Polar Surface Area: 189 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 612.6±5.0 cm3

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