Found 6 results

Search term: MF = 'C_{42}H_{57}NO_{10}'
ChemSpider 2D Image | (12S,13R,14R,15R,16S,17S,18R)-14,16,18,28-Tetrahydroxy-3,7,11,11,12,13,15,17,19,19,21,27-dodecamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1~4,29~.0~26,30~]hentriaconta-1,3,7,9,20,22(30),26,2 8-octaen-2-yl acetate | C42H57NO10

(12S,13R,14R,15R,16S,17S,18R)-14,16,18,28-Tetrahydroxy-3,7,11,11,12,13,15,17,19,19,21,27-dodecamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,2 8-octaen-2-yl acetate

  • Molecular FormulaC42H57NO10
  • Average mass735.903 Da
  • Monoisotopic mass735.398254 Da
  • ChemSpider ID8185783

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(12S,13R,14R,15R,16S,17S,18R)-14,16,18,28-Tetrahydroxy-3,7,11,11,12,13,15,17,19,19,21,27-dodecamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,2
 8-octaen-2-yl acetate [ACD/IUPAC Name]
(12S,13R,14R,15R,16S,17S,18R)-14,16,18,28-Tetrahydroxy-3,7,11,11,12,13,15,17,19,19,21,27-dodecamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,2
 8-octaen-2-yl-acetat [German] [ACD/IUPAC Name]
6,9-Methano-11H-1,3-dioxino[4,5,6-uv][4]benzazacyclotricosine-11,27-dione, 7-(acetyloxy)-10,16,17,18,19,20,21,22,23,24-decahydro-5,19,21,23-tetrahydroxy-4,8,12,16,16,17,18,20,22,24,24,26-dodecamethyl- , (17S,18R,19R,20R,21S,22S,23R)- [ACD/Index Name]
Acétate de (12S,13R,14R,15R,16S,17S,18R)-14,16,18,28-tétrahydroxy-3,7,11,11,12,13,15,17,19,19,21,27-dodécaméthyl-6,31-dioxo-23,25-dioxa-5-azatétracyclo[20.7.1.14,29.026,30]héntriaconta-1,3,7,9,20, 22(30),26,28-octaén-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 778.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 424.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 200.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 62.55
ACD/KOC (pH 5.5): 323.12
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 172 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 591.0±5.0 cm3

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