CAS 3615-37-0 | (2R,3S,4S,5R)-2,3,4,5-Tetrahydroxyhexanal | CAS Number 3615-37-0

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3615-37-0 | (2R,3S,4S,5R)-2,3,4,5-Tetrahydroxyhexanal

CAS No: 3615-37-0 Catalog No: AG003BOF MDL No:MFCD00135603

Product Description

Catalog Number:

AG003BOF

Chemical Name:

(2R,3S,4S,5R)-2,3,4,5-Tetrahydroxyhexanal

CAS Number:

3615-37-0

Molecular Formula:

C6H12O5

Molecular Weight:

164.1565

MDL Number:

MFCD00135603

IUPAC Name:

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal

InChI:

InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1

InChI Key:

PNNNRSAQSRJVSB-DPYQTVNSSA-N

SMILES:

O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O

EC Number:

222-792-9

UNII:

603I57Y449

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.157g/mol

Monoisotopic Mass:

164.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.4

Literature

Title	Journal
Acetylesterase-mediated deacetylation of pectin impairs cell elongation, pollen germination, and plant reproduction.	The Plant cell 20120101
Silencing of the major salt-dependent isoform of pectinesterase in tomato alters fruit softening.	Plant physiology 20070801
Kinetics and specificity of the renal Na+/myo-inositol cotransporter expressed in Xenopus oocytes.	The Journal of membrane biology 19950101