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CAS 13039-56-0 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 13039-56-0
Also known as: 13039-56-0, (2r,3s,4s)-2,3,4-trihydroxypentanal, 5-deoxy-l-(+)-arabinose, Schembl825743, Dtxsid20470908, Zinc2517029
Molecular Formula
C5H10O4
Molecular Weight
134.13  g/mol
InChI Key
WDRISBUVHBMJEF-YUPRTTJUSA-N

1 2D Structure

CAS 13039-56-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,4S)-2,3,4-trihydroxypentanal
2.1.2 InChI
InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h2-5,7-9H,1H3/t3-,4-,5-/m0/s1
2.1.3 InChI Key
WDRISBUVHBMJEF-YUPRTTJUSA-N
2.1.4 Canonical SMILES
CC(C(C(C=O)O)O)O
2.1.5 Isomeric SMILES
C[C@@H]([C@@H]([C@H](C=O)O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13039-56-0

2. (2r,3s,4s)-2,3,4-trihydroxypentanal

3. 5-deoxy-l-(+)-arabinose

4. Schembl825743

5. Dtxsid20470908

6. Zinc2517029

7. Ac-33223

8. W-201033

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 134.13 g/mol
Molecular Formula C5H10O4
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass134.05790880 g/mol
Monoisotopic Mass134.05790880 g/mol
Topological Polar Surface Area77.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity93
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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