1x8r

(3R,4S,5R)-5-[(1S)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid

Also Known As: 1x8r|(3R,4s,5r)-5-[(1s)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid|[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID|SC1|(3R,4S,5R)-4-hydroxy-5-[(2S)-1-hydroxy-1-oxo-2-phosphonopropan-2-yl]oxy-3-phosphonooxycyclohexene-1-carboxylic acid|(3R,4S,5R)-5-[(1S)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid

Molecular Formula	C10H16O13P2
Molecular Weight	406.00662 g/mol
LogP	-1.3964
Topological Polar Surface Area	228.35 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	406.00662
Monoisotopic Mass	406.00662
Heavy Atoms	25
Complexity	674.2972

Chemical Identifiers

CAS Number	127641-84-3
SMILES	C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O