CAS
94231-85-3 Purity
96%
94231-85-3 Purity
96%
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N-D-Gluconoyl-beta-alanine
CAS
94231-90-0
Catalog Number
ACM94231900
Category
Other Products
Molecular Weight
267.233180 [g/mol]
Molecular Formula
C9H17NO8
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Specification
Synonyms
N-D-Gluconoyl-beta-alanine, EINECS 303-913-5, 94231-90-0
IUPAC Name
3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propanoic acid
Canonical SMILES
C(CNC(=O)C(C(C(C(CO)O)O)O)O)C(=O)O
InChI Key
IHYVWNRKXGTLCO-CCXZUQQUSA-N
EC Number
303-913-5
Exact Mass
267.09500
H-Bond Acceptor
8
H-Bond Donor
7
What is the molecular formula of N-D-Gluconoyl-beta-alanine?
The molecular formula of N-D-Gluconoyl-beta-alanine is C9H17NO8.
When was N-D-Gluconoyl-beta-alanine created and last modified?
N-D-Gluconoyl-beta-alanine was created on 2009-08-20 and last modified on 2023-12-30.
What is the molecular weight of N-D-Gluconoyl-beta-alanine?
The molecular weight of N-D-Gluconoyl-beta-alanine is 267.23 g/mol.
What are the synonyms for N-D-Gluconoyl-beta-alanine listed in the reference?
The synonyms for N-D-Gluconoyl-beta-alanine listed in the reference are 94231-90-0, EINECS 303-913-5, and DTXSID60241139.
What is the IUPAC name of N-D-Gluconoyl-beta-alanine?
The IUPAC name of N-D-Gluconoyl-beta-alanine is 3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propanoic acid.
What is the InChIKey of N-D-Gluconoyl-beta-alanine listed in the reference?
The InChIKey of N-D-Gluconoyl-beta-alanine is IHYVWNRKXGTLCO-CCXZUQQUSA-N.
How many hydrogen bond donor counts does N-D-Gluconoyl-beta-alanine have?
N-D-Gluconoyl-beta-alanine has 7 hydrogen bond donor counts.
What is the topological polar surface area of N-D-Gluconoyl-beta-alanine?
The topological polar surface area of N-D-Gluconoyl-beta-alanine is 168 Ų.
How many defined atom stereocenter counts does N-D-Gluconoyl-beta-alanine have?
N-D-Gluconoyl-beta-alanine has 4 defined atom stereocenter counts.
Is N-D-Gluconoyl-beta-alanine considered a canonicalized compound?
Yes, N-D-Gluconoyl-beta-alanine is considered a canonicalized compound.
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