ChemSpider 2D Image | (7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-30,33-diisopropyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,41-trioxo-8,27,42-trioxa-24,30,33,38-tetraazaheptacyclo[23.15.1 .1~4,7~.0~5,40~.0~26,39~.0~28,37~.0~29,34~]dotetraconta-1(40),2,4,9,19,21,24,26(39),28,34,36-undecaen-13-yl acetate | C51H64N4O13

(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-30,33-diisopropyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,41-trioxo-8,27,42-trioxa-24,30,33,38-tetraazaheptacyclo[23.15.1 .14,7.05,40.026,39.028,37.029,34]dotetraconta-1(40),2,4,9,19,21,24,26(39),28,34,36-undecaen-13-yl acetate

  • Molecular FormulaC51H64N4O13
  • Average mass941.073 Da
  • Monoisotopic mass940.446960 Da
  • ChemSpider ID9368979

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-30,33-diisopropyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,41-trioxo-8,27,42-trioxa-24,30,33,38-tetraazaheptacyclo[23.15.1 ;.14,7.05,40.026,39.028,37.029,34]dotetraconta-1(40),2,4,9,19,21,24,26(39),28,34,36-undecaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-30,33-diisopropyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,41-trioxo-8,27,42-trioxa-24,30,33,38-tetraazaheptacyclo[23.15.1 ;.14,7.05,40.026,39.028,37.029,34]dotetraconta-1(40),2,4,9,19,21,24,26(39),28,34,36-undecaen-13-yl-acetat [German] [ACD/IUPAC Name]
9H-2,7-(Epoxy[1,11,13]pentadecatrienonitrilo)-6H-benzofuro[4,5-a]pyrazino[2,3-h]phenoxazine-1,6,17(2H)-trione, 27-(acetyloxy)-10,11,12,15-tetrahydro-5,14,23,25-tetrahydroxy-29-methoxy-2,4,18,22,24,26, 28-heptamethyl-9,12-bis(1-methylethyl)-, (2S,18Z,20E,22S,23S,24R,25S,26S,27S,28R,29S,30E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17,36-tétrahydroxy-30,33-diisopropyl-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23,41-trioxo-8,27,42-trioxa-24,30,33,38-tétraazaheptacy ;clo[23.15.1.14,7.05,40.026,39.028,37.029,34]dotétraconta-1(40),2,4,9,19,21,24,26(39),28,34,36-undécaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1055.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.8±3.0 kJ/mol
Flash Point: 592.0±37.1 °C
Index of Refraction: 1.635
Molar Refractivity: 245.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 16.48
ACD/KOC (pH 5.5): 49.80
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 8.65
ACD/KOC (pH 7.4): 26.13
Polar Surface Area: 226 Å2
Polarizability: 97.4±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 686.5±7.0 cm3

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