P23

PROPYL TRIHYDROGEN DIPHOSPHATE

Created:	2004-07-01
Last modified:	2024-09-27

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2 entries where P23 is found as a standalone ligand1 entries where P23 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of P23

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Chemical Component Summary
Name	PROPYL TRIHYDROGEN DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	phosphono propyl hydrogen phosphate
Formula	C₃ H₁₀ O₇ P₂
Molecular Weight	220.055
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OP(=O)(OCCC)O)O
SMILES	CACTVS	3.341	CCCO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCOP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	CCCO[P@](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCO[P@@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)
InChIKey	InChI	1.03	JCWMAIAFQQTSAX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01679
Name	Propyl Trihydrogen Diphosphate
Groups	experimental
Synonyms	Propyl Trihydrogen Diphosphate

Related Resource References

Resource Name	Reference
PubChem	448670

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