X3X

bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate

Created:	2013-10-14
Last modified:	2021-03-01

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1 entries where X3X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	2
Bond Count	29
Aromatic Bond Count	0

2D diagram of X3X

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Chemical Component Summary
Name	bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate
Synonyms	diglycerolphosphate
Systematic Name (OpenEye OEToolkits)	bis[(2S)-2,3-bis(oxidanyl)propyl] hydrogen phosphate
Formula	C₆ H₁₅ O₈ P
Molecular Weight	246.152
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCC(O)CO)(OCC(O)CO)O
SMILES	CACTVS	3.385	OC[CH](O)CO[P](O)(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	1.7.6	C(C(COP(=O)(O)OCC(CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H](O)CO[P](O)(=O)OC[C@@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O
InChI	InChI	1.03	InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1
InChIKey	InChI	1.03	LLCSXHMJULHSJN-WDSKDSINSA-N

Related Resource References

Resource Name	Reference
PubChem	71777718

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