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4-[(4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl)amino]-6-(hydroxymethyl )cyclohexane-1,2,3,5-tetrol

4-[(4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl)amino]-6-(hydroxymethyl )cyclohexane-1,2,3,5-tetrol structure

CAS No:
128536-86-7
Formula:
C14H27NO9
Chemical Name:
4-[(4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl)amino]-6-(hydroxymethyl )cyclohexane-1,2,3,5-tetrol
Synonyms:
methyl 4-((1,2,4-3,5,6)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl)amino-4,6-dideoxy-alpha-glucopyranoside;methyl oligobiosaminide;4-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-6-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol;a-D-Glucopyranoside, methyl4,6-dideoxy-4-[[1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl]amino]-(9CI);ACMC-1BW98;SCHEMBL5161015;CTK4B5980;DTXSID40926159;Methyl 4,6-dideoxy-4-((1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl)amino)-alpha-D-glucopyranoside

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4-[(4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl)amino]-6-(hydroxymethyl )cyclohexane-1,2,3,5-tetrol Basic Attributes

Molecular Weight：

353.368

Exact Mass：

353.169

Characteristics

PSA：

172

XLogP3：

-3.8

Density：

1.53g/cm3

Boiling Point：

602.3ºC at 760mmHg

Flash Point：

318.1ºC

Refractive Index：

1.613

Vapor Pressure：

5.1E-17mmHg at 25°C

Drug Information

MeSH Entry Terms：

methyl 4-((1,2,4-3,5,6)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl)amino-4,6-dideoxy-alpha-glucopyranoside

Computed Properties

Molecular Weight:353.37
XLogP3:-3.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:353.16858144
Monoisotopic Mass:353.16858144
Topological Polar Surface Area:172
Heavy Atom Count:24
Complexity:414
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl)amino]-6-(hydroxymethyl )cyclohexane-1,2,3,5-tetrol

Basic Attributes
Characteristics
Drug Information
Computed Properties

4-[(4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl)amino]-6-(hydroxymethyl )cyclohexane-1,2,3,5-tetrol

SDS

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