CAS 9004-54-0|dextran|DEXTRAN, MW-86.000 (AVER.)|(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl...

General Information

Structure

Molecular Formula

C₁₈H₃₂O₁₆

Molecular Mass

504.43708

Exact Mass

504.16903494

Charge

InChI

InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1

InChIKey

FZWBNHMXJMCXLU-BLAUPYHCSA-N

Canonic Smiles

O=C[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O

Isomeric Smiles

OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Calculated Properties

JChem

Acid pKa

11.587129

H Acceptors

H Donor

LogD (pH = 5.5)

-7.110032

LogD (pH = 7.4)

-7.11006

Log P

-7.110032

Molar Refractivity

102.1722

Polarizability

42.88

Polar Surface Area

276.52

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

dextran

Synonyms

DEXTRAN, MW-86.000 (AVER.)

IUPAC name

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

EC Number

CAS Number

Registration numbers

Properties