phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol

C5H10N2O8P2 — CID 87110897

IUPACphosphono dihydrogen phosphate;pyrimidin-2-ylmethanol
SMILESO=P(O)(O)OP(=O)(O)O.OCc1ncccn1
InChIInChI=1S/C5H6N2O.H4O7P2/c8-4-5-6-2-1-3-7-5;1-8(2,3)7-9(4,5)6/h1-3,8H,4H2;(H2,1,2,3)(H2,4,5,6)
InChIKeyBOZHAPQXZKGKLT-UHFFFAOYSA-N
MW288.09 g/mol
LogP-0.84
Rot. Bonds3

About phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol

phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol (PubChem CID 87110897) has the molecular formula C5H10N2O8P2 and a molecular weight of 288.09 g/mol. Its IUPAC name is phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol.

Molecular Properties

Compound Namephosphono dihydrogen phosphate;pyrimidin-2-ylmethanol
PubChem CID87110897
Molecular FormulaC5H10N2O8P2
Molecular Weight288.09 g/mol
Exact Mass287.99
IUPAC Namephosphono dihydrogen phosphate;pyrimidin-2-ylmethanol
SMILESO=P(O)(O)OP(=O)(O)O.OCc1ncccn1
InChIInChI=1S/C5H6N2O.H4O7P2/c8-4-5-6-2-1-3-7-5;1-8(2,3)7-9(4,5)6/h1-3,8H,4H2;(H2,1,2,3)(H2,4,5,6)
InChIKeyBOZHAPQXZKGKLT-UHFFFAOYSA-N
XLogP-0.84
TPSA170.30 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

pyrimidin-2-ylmethanol
CID 2763024
phosphono pyrimidin-2-ylmethyl hydrogen phosphate
CID 54370937
ethane;pyrimidin-2-ylmethanol
CID 143639944
pyrimidin-2-ylmethoxymethylphosphonic acid
CID 21469983
(1-phosphono-2-pyrimidin-2-ylethyl)phosphonic acid
CID 22365324
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
dialuminum;phosphono dihydrogen phosphate
CID 175801807
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
magnesium pyrophosphate hydrate
CID 176515646
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835

Frequently Asked Questions

What is the IUPAC name of phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol?
The IUPAC name of phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol (CID 87110897) is phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol.
What is the SMILES notation for phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol?
The canonical SMILES for phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol is O=P(O)(O)OP(=O)(O)O.OCc1ncccn1.
What is the InChIKey of phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol?
The InChIKey is BOZHAPQXZKGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.H4O7P2/c8-4-5-6-2-1-3-7-5;1-8(2,3)7-9(4,5)6/h1-3,8H,4H2;(H2,1,2,3)(H2,4,5,6).
What are the key properties of phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol?
phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol has a molecular weight of 288.09 g/mol, XLogP of -0.84, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono dihydrogen phosphate;pyrimidin-2-ylmethanol is sourced from PubChem (CID 87110897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).