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(2R,3R,4R,5S)-4-Amino-5-methoxy-2-methyltetrahydrofuran-3-carboxylic acid

HCID 178806751
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Basic information

CAS
746595-13-1
Standard SMILES
CO[C@H]1O[C@H](C)[C@H](C(=O)O)[C@H]1N
InChIKey
BBVRQMQCSXHBLA-XGVWYHLMSA-N
Molecular formula
C7H13NO4
Average molar mass
175.18 g/mol

Names & identifiers

Preferred name
(2R,3R,4R,5S)-4-Amino-5-methoxy-2-methyltetrahydrofuran-3-carboxylic acid
IUPAC
(2R,3R,4R,5S)-4-amino-5-methoxy-2-methyloxolane-3-carboxylic acid
English name
alpha-D-Xylofuranoside,methyl2-amino-3-carboxy-2,3,5-trideoxy-(9CI)
Molecular formula
C7H13NO4
Molecular weight
175.18242

Names & synonyms

746595-13-1(2R,3R,4R,5S)-4-Amino-5-methoxy-2-methyltetrahydrofuran-3-carboxylic acidalpha-D-Xylofuranoside,methyl2-amino-3-carboxy-2,3,5-trideoxy-(9CI)

Database identifiers

CAS
746595-13-1

Properties

Computed structural propertiesFilling in

XLogP
-2.8
Topological polar surface area
81.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
184

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