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Conduritol

Conduritol structure

CAS No:
526-87-4
Formula:
C6H10O4
Chemical Name:
Conduritol
Synonyms:
5-Cyclohexene-1,2,3,4-tetrol,(1R,2S,3R,4S)-rel-;Conduritol;5-Cyclohexene-1,2,3,4-tetrol,(1α,2β,3β,4α)-;rel-(1R,2S,3R,4S)-5-Cyclohexene-1,2,3,4-tetrol;Kondurite;Conduritol A;95908-88-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

White Crystalline Powder

Conduritol A is a conduritol in which the hydroxy groups at positions 2, 3, and 4 are in a trans,trans,cis- relationship to that at position 1. It has a role as a metabolite.

Conduritol Basic Attributes

Molecular Weight：

146.141

Exact Mass：

146.14

UNII：

QL4Q1FZ32P

Characteristics

PSA：

80.92000

XLogP3：

-1.21

Density：

1.7±0.1 g/cm3

Melting Point：

145 °C

Boiling Point：

281.9±40.0 °C at 760 mmHg

Flash Point：

141.3±21.9 °C

Refractive Index：

1.693

Storage Conditions：

-20ºC Freezer

Drug Information

MeSH：

Compounds that inhibit or block the activity of GLYCOSIDE HYDROLASES such as ALPHA-AMYLASES and ALPHA-GLUCOSIDASES. (See all compounds classified as Glycoside Hydrolase Inhibitors.)

MeSH Entry Terms：

5-cyclohexene-1,2,3,4-tetrol

Computed Properties

Molecular Weight:146.14
XLogP3:-2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Exact Mass:146.05790880
Monoisotopic Mass:146.05790880
Topological Polar Surface Area:80.9
Heavy Atom Count:10
Complexity:129
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes