ChemSpider 2D Image | 1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-tetraazanonacyclo[18.10.10.0~1,21~.0~2,18~.0~5,17~.0~8,16~.0~9,14~.0~20,32~.0~22,30~]tetraconta-8(16),9,11,13,37-pentaen-4-yl]acetone | C39H54N4O2

1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-tetraazanonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaen-4-yl]acetone

  • Molecular FormulaC39H54N4O2
  • Average mass610.872 Da
  • Monoisotopic mass610.424683 Da
  • ChemSpider ID4981678

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-tetraazanonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaen-4-yl]aceton [German] [ACD/IUPAC Name]
1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-tetraazanonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaen-4-yl]acetone [ACD/IUPAC Name]
1-[(2S,4S,17R,18R,19S,21R,37Z)-19-Hydroxy-5,15,22,32-tétraazanonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tétraconta-8(16),9,11,13,37-pentaén-4-yl]acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-[(7cS,9S,17bR,17cR,18S,19aR,23Z)-1,2,3,4,5,6,7,7a,7c,8,11,12,17,17b,17c,18-hexadecahydro-18-hydroxy-9H,19aH-19,19,7b-([3]octenoazanetriylmethano)azonino[1',2':1,2][1]benzazeto[4,3-a]ind olo[3,2-h]quinolizin-9-yl]- [ACD/Index Name]
Manadomanzamine B

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: 1.666
Molar Refractivity: 180.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 4.74
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 16.99
ACD/KOC (pH 7.4): 29.92
Polar Surface Area: 63 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 485.4±5.0 cm3

Click to predict properties on the Chemicalize site


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