ChemSpider 2D Image | (3beta,25R)-Spirost-5-en-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H62O12

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

  • Molecular FormulaC39H62O12
  • Average mass722.902 Da
  • Monoisotopic mass722.424133 Da
  • ChemSpider ID23291697

  • 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-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(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 6-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[(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]-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[(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]-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triolNA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 836.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.3±6.0 kJ/mol
Flash Point: 459.7±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 185.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3829.17
ACD/KOC (pH 5.5): 12775.56
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3829.12
ACD/KOC (pH 7.4): 12775.39
Polar Surface Area: 177 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 537.8±5.0 cm3

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