Butanoicacid,3,4-dihydroxy-,methyl ester,(3S)-

CAS
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CAS
90414-36-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM90414361

Product Name

Butanoicacid,3,4-dihydroxy-,methyl ester,(3S)-

Structure

Structure

CAS

90414-36-1

Category

Heterocyclic Organic Compound

Synonyms

(S)-methyl 3,4-dihydroxybutanoate, 90414-36-1, methyl (3S)-3,4-dihydroxybutanoate, AC1NRXYK, CTK5G7833, MolPort-016-578-781, (S)-methyl-3,4-dihydroxybutanoate, ANW-74080, AG-L-25002, AK-85667, KB-05580, I14-8546, InChI=1/C5H10O4/c1-9-5(8)2-4(7)3-6/h4,6-7H,2-3H2,1H

IUPAC Name

methyl (3S)-3,4-dihydroxybutanoate

Molecular Weight

134.13

Molecular Formula

C₅H₁₀O₄

Canonical SMILES

COC(=O)CC(CO)O

InChI Key

KCKWOJWPEXHLOQ-BYPYZUCNSA-N

Exact Mass

134.05800

H-Bond Acceptor

4

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The molecular formula is C5H10O4.

What is the PubChem CID of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The PubChem CID is 5325252.

What is the IUPAC name of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The IUPAC name is methyl (3S)-3,4-dihydroxybutanoate.

What is the InChI of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The InChI is InChI=1S/C5H10O4/c1-9-5(8)2-4(7)3-6/h4,6-7H,2-3H2,1H3/t4-/m0/s1.

What is the InChIKey of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The InChIKey is KCKWOJWPEXHLOQ-BYPYZUCNSA-N.

What is the canonical SMILES of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The canonical SMILES is COC(=O)CC(CO)O.

What is the molecular weight of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The molecular weight is 134.13 g/mol.

What is the XLogP3-AA value of butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)?

The XLogP3-AA value is -1.3.

How many hydrogen bond donor counts does butanoic acid, 3,4-dihydroxy-, methyl ester, (3S) have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does butanoic acid, 3,4-dihydroxy-, methyl ester, (3S) have?

It has 4 hydrogen bond acceptor counts.

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