(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
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![(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b0799eec3aba47909766045c8048219a.png "(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid")
(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
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CAS No:
149453-95-2
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Formula:
C10H17NO12P2
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Chemical Name:
(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
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Synonyms:
3-(phosphonooxy)-4-hydroxy-5-(N-(phosphonomethyl-2-oxoethyl)amino)-1-cyclohexene-1-carboxylic acid;CPASP;N-(carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate;149453-95-2;CPASP;N-(Carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate;CHEMBL609383;DTXSID00164272;(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid;3-(Phosphonooxy)-4-hydroxy-5-(N-(phosphonomethyl-2-oxoethyl)amino)-1-cyclohexene-1-carboxylic acid;5-((Carboxymethyl)(phosphonomethyl)amino)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid (3R-(3alpha,4alpha,5beta))-;1-Cyclohexene-1-carboxylic acid, 5-((carboxymethyl)(phosphonomethyl)amino)-4-hydroxy-3-(phosphonooxy)-, (3R-(3alpha,4alpha,5beta))-
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CAS No:
(3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid Basic Attributes
405.19 g/mol
405.02259897 g/mol
DTXSID00164272
Drug Information
3-(phosphonooxy)-4-hydroxy-5-(N-(phosphonomethyl-2-oxoethyl)amino)-1-cyclohexene-1-carboxylic acid
Computed Properties
Molecular Weight:405.19
XLogP3:-6.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:405.02259897
Monoisotopic Mass:405.02259897
Topological Polar Surface Area:222
Heavy Atom Count:25
Complexity:650
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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