CAS
94737-81-2 Purity
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94737-81-2 Purity
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Citrulline-c13
CAS
94740-46-2
Catalog Number
ACM94740462
Category
Other Products
Molecular Weight
176.19
Molecular Formula
C6H13N3O3
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Specification
Synonyms
CITRULLINE-C13
IUPAC Name
(2S)-2-amino-5-(aminocarbonylamino)pentanoic acid
Canonical SMILES
C(CC(C(=O)O)N)CNC(=O)N
InChI Key
RHGKLRLOHDJJDR-JGTYJTGKSA-N
Exact Mass
176.09900
H-Bond Acceptor
4
H-Bond Donor
4
What is the molecular formula of Citrulline-c13 according to the reference?
The molecular formula of Citrulline-c13 is C6H13N3O3.
When was Citrulline-c13 created according to the reference?
Citrulline-c13 was created on November 26, 2012.
What is the computed molecular weight of Citrulline-c13?
The computed molecular weight of Citrulline-c13 is 176.18 g/mol.
How many hydrogen bond donor counts does Citrulline-c13 have?
Citrulline-c13 has 4 hydrogen bond donor counts.
What is the computed XLogP3 value of Citrulline-c13?
The computed XLogP3 value of Citrulline-c13 is -4.3.
What is the topological polar surface area of Citrulline-c13?
The topological polar surface area of Citrulline-c13 is 118 Ų.
How many heavy atoms are present in Citrulline-c13?
Citrulline-c13 has 12 heavy atoms.
Is Citrulline-c13 a canonicalized compound?
Yes, Citrulline-c13 is a canonicalized compound.
How many defined atom stereocenters does Citrulline-c13 have?
Citrulline-c13 has 1 defined atom stereocenter.
What is the InChIKey of Citrulline-c13?
The InChIKey of Citrulline-c13 is RHGKLRLOHDJJDR-JGTYJTGKSA-N.
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