ChemSpider 2D Image | Apicycline | C30H38N4O11

Apicycline

  • Molecular FormulaC30H38N4O11
  • Average mass630.643 Da
  • Monoisotopic mass630.253723 Da
  • ChemSpider ID23717803

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

({[(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenyl]carbonyl}amino)[4-(2-hydroxyethyl)-1-piperazinyl]acetic acid [ACD/IUPAC Name]
({[(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenyl]carbonyl}amino)[4-(2-hydroxyethyl)-1-piperazinyl]essigsäure [German] [ACD/IUPAC Name]
1-Piperazineacetic acid, α-[[[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]-4-(2-hydroxyethyl) - [ACD/Index Name]
Acide ({[(4S,4aS,5aS,6S,12aS)-4-(diméthylamino)-3,6,10,12,12a-pentahydroxy-6-méthyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracényl]carbonyl}amino)[4-(2-hydroxyéthyl)-1-pipérazinyl]acétique [French] [ACD/IUPAC Name]
Apicycline [INN]
T1Y573BS7H
UNII:T1Y573BS7H
UNII-T1Y573BS7H

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

2278 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 962.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 536.0±34.3 °C
Index of Refraction: 1.730
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 102.5±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

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