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

• CAS: 90414-36-1
• Catalog Number: ACM90414361
• Category: Other Products
• Molecular Weight: 134.13
• Molecular Formula: C₅H₁₀O₄
• 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
• Canonical SMILES: COC(=O)CC(CO)O
• InChI Key: KCKWOJWPEXHLOQ-BYPYZUCNSA-N
• Exact Mass: 134.05800
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

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.