ChemSpider 2D Image | O~3~-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | C29H39NO9

O3-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID3502

More details:

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

Cephalotaxine, O3-[2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl]- [ACD/Index Name]
O3-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[2,6-Dihydroxy-2-(2-méthoxy-2-oxoéthyl)-6-méthylheptanoyl]cephalotaxine [French] [ACD/IUPAC Name]
1-(13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-12-yl) 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)succinate
1-[4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)succinate
26833-87-4 [RN]
CEPHALOTAXINE 4-METHYL 2-HYDROXY-2-(4-HYDROXY-4-METHYLPENTYL)BUTANEDIOATE
Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), [3(R)]-
Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 141633 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 47.88
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.35
ACD/KOC (pH 7.4): 371.63
Polar Surface Area: 124 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

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