ChemSpider 2D Image | (2S,3S,4R)-2-{[(2S,3S)-3-Amino-2-{[(2R,3R)-5-amino-2-{[(2R,3S)-4-amino-3-hydroxy-2-{[(4Z)-3-hydroxy-6,8-dimethyl-4-nonenoyl]amino}-4-oxobutanoyl]amino}-3-hydroxy-5-oxopentanoyl]amino}butanoyl]amino}-N -[(3S,6R,9S,12S,18R,21R,22R)-9-(3-amino-3-oxopropyl)-6-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-12-isobutyl-18-(methoxymethyl)-3,4,10,22-tetramethyl-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexa azacyclodocosan-21-yl]-3,4-dimethylpentanediamide (non-preferred name) | C67H108N16O23

(2S,3S,4R)-2-{[(2S,3S)-3-Amino-2-{[(2R,3R)-5-amino-2-{[(2R,3S)-4-amino-3-hydroxy-2-{[(4Z)-3-hydroxy-6,8-dimethyl-4-nonenoyl]amino}-4-oxobutanoyl]amino}-3-hydroxy-5-oxopentanoyl]amino}butanoyl]amino}-N -[(3S,6R,9S,12S,18R,21R,22R)-9-(3-amino-3-oxopropyl)-6-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-12-isobutyl-18-(methoxymethyl)-3,4,10,22-tetramethyl-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexa azacyclodocosan-21-yl]-3,4-dimethylpentanediamide (non-preferred name)

  • Molecular FormulaC67H108N16O23
  • Average mass1505.668 Da
  • Monoisotopic mass1504.777344 Da
  • ChemSpider ID35517027

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 19 defined stereocentres

More details:

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1817.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 307.7±3.0 kJ/mol
Flash Point: 1052.7±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 378.6±0.4 cm3
#H bond acceptors: 39
#H bond donors: 23
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -6.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 627 Å2
Polarizability: 150.1±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 1105.6±5.0 cm3

Click to predict properties on the Chemicalize site


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