Found 1 result

Search term: XLDIAUNLPWGNHO-NUPNHORYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Amino-3-{(3S,6S)-6,13-dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,10-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}-1-oxo-2-propanyl hydrogen sulfate | C36H58N4O11S

1-Amino-3-{(3S,6S)-6,13-dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,10-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}-1-oxo-2-propanyl hydrogen sulfate

  • Molecular FormulaC36H58N4O11S
  • Average mass754.931 Da
  • Monoisotopic mass754.382263 Da
  • ChemSpider ID23327628

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 7 defined stereocentres

More details:

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

1-Amino-3-{(3S,6S)-6,13-dimethyl-10-methylen-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,10-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}-1-oxo-2-propanylhydrogensulfat [German] [ACD/IUPAC Name]
1-Amino-3-{(3S,6S)-6,13-dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,10-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}-1-oxo-2-propanyl hydrogen sulfate [ACD/IUPAC Name]
1-Oxa-4,8,11-triazacyclotetradecane-3-propanamide, 6,13-dimethyl-10-methylene-2,5,9,12-tetraoxo-α-(sulfooxy)-14-[(5E,7E)-3,7,10-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-, (3S,6S)- [ACD/Index Name]
Hydrogénosulfate de 1-amino-3-{(3S,6S)-6,13-diméthyl-10-méthylène-2,5,9,12-tétraoxo-14-[(5E,7E)-3,7,10-triméthyl-4-oxo-5,7-heptadécadién-1-yl]-1-oxa-4,8,11-triazacyclotétradécan-3-yl}-1-oxo-2-propanyl e [French] [ACD/IUPAC Name]
1-amino-3-{(3S,6S)-6,13-dimethyl-10-methylidene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,10-trimethyl-4-oxoheptadeca-5,7-dien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}-1-oxopropan-2-yl hydrogen sulfate
topostatin

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.544
Molar Refractivity: 194.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.90
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 616.8±5.0 cm3

Click to predict properties on the Chemicalize site


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