ChemSpider 2D Image | (10S,11R,12S,15S,18S)-15-[(2S)-2-Amino-2-hydroxyethyl]-10,11,23-trihydroxy-18-{[(3S)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-propyl-8,13,16-triazatetracyclo[18.3.1.0~2,7~.0~6,10~]tetracosa-1(2 4),2,4,6,20,22-hexaene-12-carboxamide | C33H42N6O10

(10S,11R,12S,15S,18S)-15-[(2S)-2-Amino-2-hydroxyethyl]-10,11,23-trihydroxy-18-{[(3S)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-propyl-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(2 4),2,4,6,20,22-hexaene-12-carboxamide

  • Molecular FormulaC33H42N6O10
  • Average mass682.721 Da
  • Monoisotopic mass682.296265 Da
  • ChemSpider ID4449907

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(10S,11R,12S,15S,18S)-15-[(2S)-2-Amino-2-hydroxyethyl]-10,11,23-trihydroxy-18-{[(3S)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-propyl-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(2 4),2,4,6,20,22-hexaen-12-carboxamid [German] [ACD/IUPAC Name]
(10S,11R,12S,15S,18S)-15-[(2S)-2-Amino-2-hydroxyethyl]-10,11,23-trihydroxy-18-{[(3S)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-propyl-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(2 4),2,4,6,20,22-hexaene-12-carboxamide [ACD/IUPAC Name]
(10S,11R,12S,15S,18S)-15-[(2S)-2-Amino-2-hydroxyéthyl]-10,11,23-trihydroxy-18-{[(3S)-3-méthyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-propyl-8,13,16-triazatétracyclo[18.3.1.02,7.06,10]tétracosa-1(2 4),2,4,6,20,22-hexaène-12-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 173.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

Click to predict properties on the Chemicalize site


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