 Home > Encyclopedia > 6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol

6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol

6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol structure

CAS No:
124762-69-2
Formula:
C33H51F6NO20
Chemical Name:
6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
Synonyms:
N,N-Dilactitol-3,5-bis(trifluoromethyl)benzylamine; DLBA;

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6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol Basic Attributes

Molecular Weight：

895.74300

Exact Mass：

895.29086199

Characteristics

PSA：

363.84000

XLogP3：

-6.95360

Density：

1.73g/cm3

Boiling Point：

1213.5ºC

Flash Point：

687.7ºC

Refractive Index：

1.628

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

DLBA

Computed Properties

Molecular Weight:895.7
XLogP3:-6
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:20
Exact Mass:895.29086199
Monoisotopic Mass:895.29086199
Topological Polar Surface Area:364
Heavy Atom Count:60
Complexity:1180
Undefined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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