PED

PENTANE-3,4-DIOL-5-PHOSPHATE

Created:	2001-01-11
Last modified:	2024-09-27

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2 entries where PED is covalently linked to polymer or other heterogen groups 25 entries where PED is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	2
Bond Count	24
Aromatic Bond Count	0

2D diagram of PED

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Chemical Component Summary
Name	PENTANE-3,4-DIOL-5-PHOSPHATE
Synonyms	OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate
Formula	C₅ H₁₃ O₆ P
Molecular Weight	200.127
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)CC
SMILES	CACTVS	3.385	CC[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.5	CCC(C(COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.385	CC[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC[C@@H]([C@@H](COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1
InChIKey	InChI	1.03	FQKLTSRHTQGSQZ-CRCLSJGQSA-N

Related Resource References

Resource Name	Reference
PubChem	657102

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