ChemSpider 2D Image | Gitoformate | C46H64O19

Gitoformate

  • Molecular FormulaC46H64O19
  • Average mass920.989 Da
  • Monoisotopic mass920.404175 Da
  • ChemSpider ID16736524

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,5β,16β)-3-{[2,6-Dideoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-3-{[2,6-Didesoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-formyl-β-D-ribo-hexopyranosyl]oxy}-1
 6-(formyloxy)-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-3-{[2,6-Didésoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-formyl-β-D-ribo-hexopyranosyl]oxy}-1
 6-(formyloxy)-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
10176-39-3 [RN]
233-450-3 [EINECS]
B69U29O7J9
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl]oxy]- 16-(formyloxy)-14-hydroxy-, (3β,5β,16β)- [ACD/Index Name]
card-20(22)-enolide, 3-[[O-2,6-dideoxy-3,4-di-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-formyl-β-D-ribo-hexopyranosyl]oxy]-16-(formyloxy)-14-hydroxy-, (3β,5β,16β)-
Formiloxin
Formiloxine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3117 [DBID]
AC 2770 [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: 921.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.1±6.0 kJ/mol
Flash Point: 263.6±27.8 °C
Index of Refraction: 1.568
Molar Refractivity: 222.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.52
ACD/KOC (pH 5.5): 1187.17
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.52
ACD/KOC (pH 7.4): 1187.17
Polar Surface Area: 233 Å2
Polarizability: 88.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 679.8±5.0 cm3

Click to predict properties on the Chemicalize site


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