Found 20 results

Search term: MF = 'C_{20}H_{28}N_{6}O_{8}S'
ChemSpider 2D Image | (1Z,3S)-6-(Allyloxy)-1-diazonio-3-[({(1S,9S)-9-[(methylsulfonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl}carbonyl)amino]-6-oxo-1-hexen-2-olate | C20H28N6O8S

(1Z,3S)-6-(Allyloxy)-1-diazonio-3-[({(1S,9S)-9-[(methylsulfonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl}carbonyl)amino]-6-oxo-1-hexen-2-olate

  • Molecular FormulaC20H28N6O8S
  • Average mass512.537 Da
  • Monoisotopic mass512.168945 Da
  • ChemSpider ID8476694

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z,3S)-6-(Allyloxy)-1-diazonio-3-[({(1S,9S)-9-[(methylsulfonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl}carbonyl)amino]-6-oxo-1-hexen-2-olat [German] [ACD/IUPAC Name]
(1Z,3S)-6-(Allyloxy)-1-diazonio-3-[({(1S,9S)-9-[(methylsulfonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl}carbonyl)amino]-6-oxo-1-hexen-2-olate [ACD/IUPAC Name]
(1Z,3S)-6-(Allyloxy)-1-diazonio-3-[({(1S,9S)-9-[(méthylsulfonyl)amino]-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazépin-1-yl}carbonyl)amino]-6-oxo-1-hexén-2-olate [French] [ACD/IUPAC Name]
1-Hexene-1-diazonium, 2-hydroxy-3-[[[(1S,9S)-octahydro-9-[(methylsulfonyl)amino]-6,10-dioxo-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]carbonyl]amino]-6-oxo-6-(2-propen-1-yloxy)-, inner salt, (1Z,3S)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 202 Å2
Polarizability:
Surface Tension:
Molar Volume:

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