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cellobial

cellobial structure

CAS No:
490-51-7
Formula:
C12H20O9
Chemical Name:
cellobial
Synonyms:
cellobial;(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;D-CELLOBIAL;ZINC13548335;W-202868;D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-4-O-beta-D-glucopyranosyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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cellobial Basic Attributes

Molecular Weight：

308.283

Exact Mass：

308.110718

Characteristics

PSA：

149

XLogP3：

-4.33

Density：

1.6±0.1 g/cm3

Melting Point：

173-175℃

Boiling Point：

612.0±55.0 °C at 760 mmHg

Flash Point：

323.9±31.5 °C

Refractive Index：

1.627

Vapor Pressure：

1.55E-17mmHg at 25°C

Drug Information

MeSH Entry Terms：

cellobial

Computed Properties

Molecular Weight:308.28
XLogP3:-3.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:308.11073221
Monoisotopic Mass:308.11073221
Topological Polar Surface Area:149
Heavy Atom Count:21
Complexity:363
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 490-51-7

Grade: Pharmaceutical Grade

Content: 99%

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