(2S,3S)-2,3-bis[(2,2-dimethylpropanoyl)oxy]butanedioic acid

(2S,3S)-2,3-bis[(2,2-dimethylpropanoyl)oxy]butanedioic acid

CAS: 76769-55-6

Formula: C14H22O8

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

IUPAC: (2S,3S)-2,3-bis[(2,2-dimethylpropanoyl)oxy]butanedioic acid

InChI: InChI=1S/C14H22O8/c1-13(2,3)11(19)21-7(9(15)16)8(10(17)18)22-12(20)14(4,5)6/h7-8H,1-6H3,(H,15,16)(H,17,18)/t7-,8-/m0/s1

Composition: C (52.83%), H (6.97%), O (40.21%)

Molar Mass: 318.322

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	318.131467668
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	UFHJEZDFEHUYCR-YUMQZZPRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.92
Topological Polar Surface Area	127.2
Polarizability	29.33
Ring Count	0
Rotatable Bond Count	9

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