ChemSpider 2D Image | N-(3-Amino-3-oxo-1-propen-2-yl)-2-[(1S,18S,21E,28S,30S)-21-ethylidene-9,30-dihydroxy-18-[(1S)-1-hydroxyethyl]-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,
54,55-decaazanonacyclo[26.16.6.1~2,5~.1~12,15~.1~22,25~.1~38,41~.1~47,50~.0~6,11~.0~34,39~]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxa
mide | C51H43N13O12S6

N-(3-Amino-3-oxo-1-propen-2-yl)-2-[(1S,18S,21E,28S,30S)-21-ethylidene-9,30-dihydroxy-18-[(1S)-1-hydroxyethyl]-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53, 54,55-decaazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxa mide

  • Molecular FormulaC51H43N13O12S6
  • Average mass1222.357 Da
  • Monoisotopic mass1221.147827 Da
  • ChemSpider ID32699560
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

N-(3-Amino-3-oxo-1-propen-2-yl)-2-[(1S,18S,21E,28S,30S)-21-ethyliden-9,30-dihydroxy-18-[(1S)-1-hydroxyethyl]-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,5 ;4,55-decaazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-carboxami
 d [German] [ACD/IUPAC Name]
N-(3-Amino-3-oxo-1-propen-2-yl)-2-[(1S,18S,21E,28S,30S)-21-ethylidene-9,30-dihydroxy-18-[(1S)-1-hydroxyethyl]-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53, ;54,55-decaazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxa ; mide [ACD/IUPAC Name]
N-(3-Amino-3-oxo-1-propén-2-yl)-2-[(1S,18S,21E,28S,30S)-21-éthylidène-9,30-dihydroxy-18-[(1S)-1-hydroxyéthyl]-40-méthyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53, ;54,55-décaazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadécaén-8-yl]-1,3-thiazole-4-carboxa ; mide [French] [ACD/IUPAC Name]
Nosiheptide [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 307.4±0.3 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 552 Å2
Polarizability: 121.9±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 796.7±3.0 cm3

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