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Allitol

Allitol structure

CAS No:
488-44-8
Formula:
C6H14O6
Chemical Name:
Allitol
Synonyms:
Allitol;Allodulcitol;Allit;Allodulcit;74281-93-9;887772-16-9;1394295-23-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Allitol is a rare natural polyol that can be used as a sweetener. Allitol is an important intermediate for the preparation of the agents which against diabetes, cancer, and viral infections, including AIDS[1].

Allitol Basic Attributes

Molecular Weight：

182.17176

Exact Mass：

182.17

UNII：

B3F996O6JU

DSSTox ID：

DTXSID60197607

HScode：

29054990

Characteristics

PSA：

121

XLogP3：

-4.67

Density：

1.6±0.1 g/cm3

Melting Point：

144-146 °C

Boiling Point：

494.9±0.0 °C at 760 mmHg

Flash Point：

292.5±23.3 °C

Refractive Index：

1.597

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

RTECS Number：

BA1840000

Drug Information

MeSH Entry Terms：

allitol

Allitol Use and Manufacturing

Allitol is known to be a useful precursor for the production of various L-hexoses. Allitol can also be produced from D-fructose via NADH-regenerating enzyme reaction systems.

Computed Properties

Molecular Weight:182.17
XLogP3:-3.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:182.07903816
Monoisotopic Mass:182.07903816
Topological Polar Surface Area:121
Heavy Atom Count:12
Complexity:105
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 488-44-8

Content: 99%

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