Structure

D-Lanthionine

CAS
922-56-5
Catalog Number
ACM922565
Category
Other Products
Molecular Weight
208.235480 [g/mol]
Molecular Formula
C6H12N2O4S

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Specification

Synonyms
MESO-LANTHIONINE, AC1L21XC, UNII-104T761S26, 104T761S26, (2S)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanylpropanoic acid, 922-56-5
IUPAC Name
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid
Canonical SMILES
C(C(C(=O)O)N)SCC(C(=O)O)N
InChI Key
DWPCPZJAHOETAG-ZXZARUISSA-N
Boiling Point
462.6±45.0 °C (760 mmHg)
Melting Point
283 °C (decomp)
Density
1.499±0.06 g/cm³(20 °C , 760mmHg)
Exact Mass
208.05200
H-Bond Acceptor
7
H-Bond Donor
4
What is the molecular formula of D-Lanthionine?

The molecular formula of D-Lanthionine is C6H12N2O4S.

When was D-Lanthionine created and last modified in PubChem?

D-Lanthionine was created on 2006-07-28 and last modified on 2023-12-30 in PubChem.

What is the IUPAC name of D-Lanthionine?

The IUPAC name of D-Lanthionine is (2S)-2-amino-3-[(2S)-2-amino-2-carboxyethyl]sulfanylpropanoic acid.

What is the Canonical SMILES of D-Lanthionine?

The Canonical SMILES of D-Lanthionine is C(C(C(=O)O)N)SCC(C(=O)O)N.

What is the InChIKey of D-Lanthionine?

The InChIKey of D-Lanthionine is DWPCPZJAHOETAG-QWWZWVQMSA-N.

How many hydrogen bond donor counts does D-Lanthionine have?

D-Lanthionine has 4 hydrogen bond donor counts.

What is the XLogP3-AA value of D-Lanthionine?

The XLogP3-AA value of D-Lanthionine is -6.3.

What is the topological polar surface area of D-Lanthionine?

The topological polar surface area of D-Lanthionine is 152 Ų.

How many defined atom stereocenter counts does D-Lanthionine have?

D-Lanthionine has 2 defined atom stereocenter counts.

Is the compound of D-Lanthionine canonicalized?

Yes, the compound of D-Lanthionine is canonicalized.

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