ChemSpider 2D Image | cladoniamide B | C22H15Cl2N3O5

cladoniamide B

  • Molecular FormulaC22H15Cl2N3O5
  • Average mass472.278 Da
  • Monoisotopic mass471.038879 Da
  • ChemSpider ID34448989

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5aR,8aS)-2,10-Dichlor-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indol-6,8(5aH,7H)-dion [German] [ACD/IUPAC Name]
(5aR,8aS)-2,10-Dichloro-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione [ACD/IUPAC Name]
(5aR,8aS)-2,10-Dichloro-5a,8a-dihydroxy-14-méthoxy-7-méthyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione [French] [ACD/IUPAC Name]
cladoniamide B
E'CHEBI:84367'
  • Miscellaneous

    • Chemical Class:

      8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-<ital>b</ital>]indole-6,8(5a<element>H</element>,7<element>H</element>)-dione which is substituted by chlorines at positions 2 and 10, hydroxy g roups at positions 5a and 8a, a methoxy group at position 14, and a methyl group at position 7 (the 5a<stereo>R</stereo>,8a<stereo>S</stereo> diastereoisomer). It has been isolated from the culture br oth of <ital>Streptomyces uncialis</ital>. ChEBI CHEBI:84367
      8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione which is substituted by chlorines at positions 2 and 10, hydroxy g; roups at positions 5a and 8a, a methoxy group at position 14, and a methyl group at position 7 (the 5aR,8aS diastereoisomer). It has been isolated from the culture br; oth of Streptomyces uncialis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84367
      8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione which is substituted by chlorines at positions 2 and 10, hydroxy groups at positions 5a and 8a, a methoxy group at po sition 14, and a methyl group at position 7 (the 5aR,8aS diastereoisomer). It has been isolated from the culture broth of Streptomyces uncialis. ChEBI CHEBI:84367

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

Density: 1.8±0.1 g/cm3
Boiling Point: 824.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.810
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 738.82
ACD/KOC (pH 5.5): 3934.51
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 733.44
ACD/KOC (pH 7.4): 3905.87
Polar Surface Area: 108 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 74.2±7.0 dyne/cm
Molar Volume: 264.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement