InChI=1/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35?,36?,37+,38?,40-,45+,46-,47+/m0/s1/i3-1

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Inherent Properties, Identifiers and References

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ChemSpider ID:	8186383
Empirical Formula:	C₄₆¹¹CH₅₁NO₁₄
Molecular Weight:	852.9069
Nominal Mass:	852 Da
Average Mass:	852.9069 Da
Monoisotopic Mass:	852.342388 Da

Systematic Name:

SMILES:

InChI:

InChI=1/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35?,36?,37+,38?,40-,45+,46-,47+/m0/s1/i3-1

InChIKey:

RCINICONZNJXQF-SRWVHMHKFS

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(Details...)

Original Reference(s)

Data Source	External ID(s)
PubChem	10010804
Thomson Pharma	00410594

(Details...)

Predicted Properties

LogP:	XLogP: 3.00	# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:	1.637	Molar Refractivity:	219.26 cm³
Molar Volume:	610.5 cm³	Polarizability:	86.92 10^-24cm³
Surface Tension:	68.4 dyne/cm	Density:	1.39 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C