Found 289 results

Search term: MF = 'C_{36}H_{42}N_{4}O_{2}'
ChemSpider 2D Image | 1-[(1S,2R,4R,8Z,10R,12R,13R,21Z)-28-Oxa-3,16-diazahexacyclo[11.11.2.1~1,4~.1~12,16~.0~2,12~.0~3,10~]octacosa-8,21,25-trien-26-yl]-9H-beta-carbolin-8-ol | C36H42N4O2

1-[(1S,2R,4R,8Z,10R,12R,13R,21Z)-28-Oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-8,21,25-trien-26-yl]-9H-β-carbolin-8-ol

  • Molecular FormulaC36H42N4O2
  • Average mass562.744 Da
  • Monoisotopic mass562.330750 Da
  • ChemSpider ID9630652

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-[(1S,2R,4R,8Z,10R,12R,13R,21Z)-28-Oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-8,21,25-trien-26-yl]-9H-β-carbolin-8-ol [German] [ACD/IUPAC Name]
1-[(1S,2R,4R,8Z,10R,12R,13R,21Z)-28-Oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-8,21,25-trien-26-yl]-9H-β-carbolin-8-ol [ACD/IUPAC Name]
1-[(1S,2R,4R,8Z,10R,12R,13R,21Z)-28-Oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-8,21,25-trién-26-yl]-9H-β-carbolin-8-ol [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indol-8-ol, 1-[(4aR,6aS,7aR,11Z,12aR,13aR,13bR,16Z)-4,4a,7a,8,9,10,12a,13-octahydro-3H,13bH-6a,2-[3]octeno-1H-7-oxa-2,13c-diazacycloocta[3,4]pentaleno[1,6-ja]naphthalen-5-yl]- [ACD/Index Name]
12,28-OXA-8-HYDROXY-MANZAMINE A

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 8.30
ACD/KOC (pH 5.5): 11.27
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 1103.49
ACD/KOC (pH 7.4): 1498.56
Polar Surface Area: 65 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 421.0±5.0 cm3

Click to predict properties on the Chemicalize site


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