1,4-dimethyl (2S)-2-amino-3-hydroxybutanedioate

1,4-dimethyl (2S)-2-amino-3-hydroxybutanedioate

CAS: 471242-80-5

Formula: C6H11NO5

SMILES: COC(=O)[C@@H](N)C(O)C(=O)OC

IUPAC: 1,4-dimethyl (2S)-2-amino-3-hydroxybutanedioate

InChI: InChI=1S/C6H11NO5/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,8H,7H2,1-2H3/t3-,4?/m0/s1

Composition: C (40.68%), H (6.26%), N (7.91%), O (45.16%)

Molar Mass: 177.156

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	177.063722458
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FKPFNKFGJIMFFG-WUCPZUCCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.41
Topological Polar Surface Area	98.85
Polarizability	15.66
Ring Count	0
Rotatable Bond Count	5

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95%	<5 Days	471242-80-5		$2,596.00-$3,432.00$2,596.00$2,816.00$3,432.00