ChemSpider 2D Image | (4E,6E,8E,10E,12E,14E,16E)-20,22,28,30,32,34,36-Heptahydroxy-2-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-3,21-dimethyl-24,26,38-trioxooxacyclooctatriaconta-4,6,8,10,12,14,16-heptaen-18-yl 4-amino-4,6-dideoxy-D-mannopyranoside | C59H88N2O17

(4E,6E,8E,10E,12E,14E,16E)-20,22,28,30,32,34,36-Heptahydroxy-2-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-3,21-dimethyl-24,26,38-trioxooxacyclooctatriaconta-4,6,8,10,12,14,16-heptaen-18-yl 4-amino-4,6-dideoxy-D-mannopyranoside

  • Molecular FormulaC59H88N2O17
  • Average mass1097.333 Da
  • Monoisotopic mass1096.608276 Da
  • ChemSpider ID16736162

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 18 defined stereocentres

More details:

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

(4E,6E,8E,10E,12E,14E,16E)-20,22,28,30,32,34,36-Heptahydroxy-2-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxo-2-heptanyl}-3,21-dimethyl-24,26,38-trioxooxacyclooctatriaconta-4,6,8,10,12,14,16-heptaen-18-yl 4-amino-4,6-dideoxy-D-mannopyranoside [ACD/IUPAC Name]
(4E,6E,8E,10E,12E,14E,16E)-20,22,28,30,32,34,36-Heptahydroxy-2-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxo-2-heptanyl}-3,21-dimethyl-24,26,38-trioxooxacyclooctatriaconta-4,6,8,10,12,14,16-heptaen-18-yl -4-amino-4,6-didesoxy-D-mannopyranosid [German] [ACD/IUPAC Name]
(4E,6E,8E,10E,12E,14E,16E)-20,22,28,30,32,34,36-Heptahydroxy-2-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-3,21-dimethyl-24,26,38-trioxooxacyclooctatriaconta-4,6,8,10,12,14,16-heptaen-18-yl 4-amino-4,6-dideoxy-D-mannopyranoside
4-Amino-4,6-didésoxy-D-mannopyranoside de (4E,6E,8E,10E,12E,14E,16E)-20,22,28,30,32,34,36-heptahydroxy-2-{5-hydroxy-7-[4-(méthylamino)phényl]-7-oxo-2-heptanyl}-3,21-diméthyl-24,26,38-trioxooxacyclooct atriaconta-4,6,8,10,12,14,16-heptaén-18-yle [French] [ACD/IUPAC Name]
62327-61-1 [RN]
Oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-2,14,16-trione, 22-[(4-amino-4,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,10,12,18,20-heptahydroxy-38-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo hexyl]-19,37-dimethyl-, (23E,25E,27E,29E,31E,33E,35E)- [ACD/Index Name]
oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-2,14,16-trione, 22-[(4-amino-4,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,10,12,18,20-heptahydroxy-38-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxohexyl]-19,37-dimethyl-, (23E,25E,27E,29E,31E,33E,35E)-
Perimycin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1243.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.1±3.0 kJ/mol
Flash Point: 705.6±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 295.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 336 Å2
Polarizability: 117.1±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 858.0±5.0 cm3

Click to predict properties on the Chemicalize site


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