ChemSpider 2D Image | Chivosazole B | C48H69NO12

Chivosazole B

  • Molecular FormulaC48H69NO12
  • Average mass852.061 Da
  • Monoisotopic mass851.481995 Da
  • ChemSpider ID10218296

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 15 defined stereocentres

More details:

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

(6E,8E,10Z,16Z,18E,20Z,22E,26Z,28E)-13-(3,5-Dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tetramethyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-25 ;-yl 6-deoxy-2,3-di-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(6E,8E,10Z,16Z,18E,20Z,22E,26Z,28E)-13-(3,5-Dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tetramethyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-25 ;-yl-6-desoxy-2,3-di-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
14,32-Dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one, 25-[(6-deoxy-2,3-di-O-methyl-β-D-glucopyranosyl)oxy]-13-(2,4-dihydroxy-1-methylpentyl)-3,5-dihydroxy -2,12,22,24-tetramethyl-, (6E,8E,10Z,16Z,18E,20Z,22E,26Z,28E)- [ACD/Index Name]
6-Désoxy-2,3-di-O-méthyl-β-D-glucopyranoside de (6E,8E,10Z,16Z,18E,20Z,22E,26Z,28E)-13-(3,5-dihydroxy-2-hexanyl)-3,5-dihydroxy-2,12,22,24-tétraméthyl-15-oxo-14,32-dioxa-33-azabicyclo[28.2.1]tritria conta-1(33),6,8,10,16,18,20,22,26,28,30-undécaén-25-yle [French] [ACD/IUPAC Name]
Chivosazole B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 969.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 540.4±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 236.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3708.26
ACD/KOC (pH 5.5): 12485.46
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3708.31
ACD/KOC (pH 7.4): 12485.60
Polar Surface Area: 190 Å2
Polarizability: 93.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 716.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement