Name: Name:(3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
Brand: Angene
SKU: AG002ZMG
Rating: 90 (10 reviews)

(3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate

CAS No.:

3031-98-9

Catalog Number:

AG002ZMG

Molecular Formula:

C7H12O7

Molecular Weight:

208.1660

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Product Description

Catalog Number:

AG002ZMG

Chemical Name:

(3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate

CAS Number:

3031-98-9

Molecular Formula:

C7H12O7

Molecular Weight:

208.1660

MDL Number:

MFCD23135237

IUPAC Name:

methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate

InChI:

InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3/t3-,4+,5-/m0/s1

InChI Key:

KPHIBLNUVRGOGU-LMVFSUKVSA-N

SMILES:

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

EC Number:

608-464-1

UNII:

IF3VWH6PCF

NSC Number:

163924

Properties

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.166g/mol

Monoisotopic Mass:

208.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.5

Literature

Title	Journal
Functional expression of a thermophilic glucuronyl esterase from Sporotrichum thermophile: identification of the nucleophilic serine.	Applied microbiology and biotechnology 20100801
Purification, characterization and mass spectrometric sequencing of a thermophilic glucuronoyl esterase from Sporotrichum thermophile.	FEMS microbiology letters 20090601
Duocarmycin-based prodrugs for cancer prodrug monotherapy.	Bioorganic & medicinal chemistry 20080615

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