ChemSpider 2D Image | 1-[(4Z)-4-{[(Z)-{1-[(Z)-[(9E,12E,15E,18Z)-19-Amino-10-[(2Z)-3-amino-3-hydroxy-2-propen-1-yl]-7-[(Z)-2-amino-2-hydroxyvinyl]-13-benzyl-9,12,15,18-tetrahydroxy-16-(4-hydroxybenzyl)-6-oxo-1,2-dithia-5,8, 11,14,17-pentaazacycloicosa-9,12,15,18-tetraen-4-ylidene](hydroxy)methyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}-5-{[(Z)-2-amino-2-hydroxyvinyl]amino}-5-hydroxy-4-penten-1-yl]guanidine | C46H65N15O12S2

1-[(4Z)-4-{[(Z)-{1-[(Z)-[(9E,12E,15E,18Z)-19-Amino-10-[(2Z)-3-amino-3-hydroxy-2-propen-1-yl]-7-[(Z)-2-amino-2-hydroxyvinyl]-13-benzyl-9,12,15,18-tetrahydroxy-16-(4-hydroxybenzyl)-6-oxo-1,2-dithia-5,8, 11,14,17-pentaazacycloicosa-9,12,15,18-tetraen-4-ylidene](hydroxy)methyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}-5-{[(Z)-2-amino-2-hydroxyvinyl]amino}-5-hydroxy-4-penten-1-yl]guanidine

  • Molecular FormulaC46H65N15O12S2
  • Average mass1084.232 Da
  • Monoisotopic mass1083.437866 Da
  • ChemSpider ID95775824

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(4Z)-4-{[(Z)-{1-[(Z)-[(9E,12E,15E,18Z)-19-Amino-10-[(2Z)-3-amino-3-hydroxy-2-propen-1-yl]-7-[(Z)-2-amino-2-hydroxyvinyl]-13-benzyl-9,12,15,18-tetrahydroxy-16-(4-hydroxybenzyl)-6-oxo-1,2-dithia-5,8, 11,14,17-pentaazacycloicosa-9,12,15,18-tetraen-4-yliden](hydroxy)methyl]-2-pyrrolidinyliden}(hydroxy)methyl]amino}-5-{[(Z)-2-amino-2-hydroxyvinyl]amino}-5-hydroxy-4-penten-1-yl]guanidin [German] [ACD/IUPAC Name]
1-[(4Z)-4-{[(Z)-{1-[(Z)-[(9E,12E,15E,18Z)-19-Amino-10-[(2Z)-3-amino-3-hydroxy-2-propen-1-yl]-7-[(Z)-2-amino-2-hydroxyvinyl]-13-benzyl-9,12,15,18-tetrahydroxy-16-(4-hydroxybenzyl)-6-oxo-1,2-dithia-5,8, 11,14,17-pentaazacycloicosa-9,12,15,18-tetraen-4-ylidene](hydroxy)methyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}-5-{[(Z)-2-amino-2-hydroxyvinyl]amino}-5-hydroxy-4-penten-1-yl]guanidine [ACD/IUPAC Name]
1-[(4Z)-4-{[(Z)-{1-[(Z)-[(9E,12E,15E,18Z)-19-Amino-10-[(2Z)-3-amino-3-hydroxy-2-propén-1-yl]-7-[(Z)-2-amino-2-hydroxyvinyl]-13-benzyl-9,12,15,18-tétrahydroxy-16-(4-hydroxybenzyl)-6-oxo-1,2-dithia-5,8, 11,14,17-pentaazacycloicosa-9,12,15,18-tétraén-4-ylidène](hydroxy)méthyl]-2-pyrrolidinylidène}(hydroxy)méthyl]amino}-5-{[(Z)-2-amino-2-hydroxyvinyl]amino}-5-hydroxy-4-pentén-1-yl]guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[(4Z)-4-[[(Z)-[1-[(Z)-[(9E,12E,15E,18Z)-19-amino-7-[(Z)-2-amino-2-hydroxyethenyl]-10-[(2Z)-3-amino-3-hydroxy-2-propen-1-yl]-9,12,15,18-tetrahydroxy-16-[(4-hydroxyphenyl)methyl]-6-oxo-13-( phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicosa-9,12,15,18-tetraen-4-ylidene]hydroxymethyl]-2-pyrrolidinylidene]hydroxymethyl]amino]-5-[[(Z)-2-amino-2-hydroxyethenyl]amino]-5-hydroxy-4-pente n-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 270.1±0.5 cm3
#H bond acceptors: 27
#H bond donors: 30
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.18
ACD/LogD (pH 5.5): -9.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 544 Å2
Polarizability: 107.1±0.5 10-24cm3
Surface Tension: 76.6±7.0 dyne/cm
Molar Volume: 680.7±7.0 cm3

Click to predict properties on the Chemicalize site


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