Found 246 results

Search term: MF = 'C_{21}H_{32}N_{4}O_{7}'
ChemSpider 2D Image | (3S,6S,10S,11R,12S,13R,17R)-15-(Cyclopropylcarbonyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.1~3,6~.1~10,13~]tricosane-2,8-dione | C21H32N4O7

(3S,6S,10S,11R,12S,13R,17R)-15-(Cyclopropylcarbonyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione

  • Molecular FormulaC21H32N4O7
  • Average mass452.501 Da
  • Monoisotopic mass452.227112 Da
  • ChemSpider ID65261292

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,6S,10S,11R,12S,13R,17R)-15-(Cyclopropylcarbonyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosan-2,8-dion [German] [ACD/IUPAC Name]
(3S,6S,10S,11R,12S,13R,17R)-15-(Cyclopropylcarbonyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione [ACD/IUPAC Name]
(3S,6S,10S,11R,12S,13R,17R)-15-(Cyclopropylcarbonyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tétraazatétracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione [French] [ACD/IUPAC Name]
18,22-Dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione, 15-(cyclopropylcarbonyl)-11,12-dihydroxy-, (3S,6S,10S,11R,12S,13R,17R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 812.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.4±6.0 kJ/mol
Flash Point: 445.0±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 141 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 309.8±5.0 cm3

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