ChemSpider 2D Image | 3-{[Hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide | C49H76O20

3-{[Hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC49H76O20
  • Average mass985.116 Da
  • Monoisotopic mass984.492981 Da
  • ChemSpider ID3742

More details:

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

3-{[Hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
3-{[Hexopyranosyl-(1->4)-3-O-acetyl-2,6-didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
3-{[Hexopyranosyl-(1->4)-3-O-acétyl-2,6-didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-hexopyranosyl-(1->4)-O--3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-O--2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy]-12,14-dihydroxy- [ACD/Index Name]
11019-78-6 [RN]
17575-22-3 [RN]
241-546-1 [EINECS]
35-86-9 [RN]
37267-71-3 [RN]
Allocor
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L2261_SIGMA [DBID]
NCI60_041651 [DBID]
NSC 119991 [DBID]
NSC119991 [DBID]
NSC7532 [DBID]
NSC7533 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 239.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.19
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.19
Polar Surface Area: 288 Å2
Polarizability: 95.0±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 692.6±5.0 cm3

Click to predict properties on the Chemicalize site


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