CID 156592060

C10H17N2NaO8P — CID 156592060

IUPAC—
SMILESCC1CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O.[Na]
InChIInChI=1S/C10H17N2O8P.Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18);/t5?,6-,7+,8+;/m0./s1
InChIKeyOUNZAUODDWJICN-TVEPBQBDSA-N
MW347.22 g/mol
LogP-1.62
Rot. Bonds4

About CID 156592060

CID 156592060 (PubChem CID 156592060) has the molecular formula C10H17N2NaO8P and a molecular weight of 347.22 g/mol.

Molecular Properties

Compound NameCID 156592060
PubChem CID156592060
Molecular FormulaC10H17N2NaO8P
Molecular Weight347.22 g/mol
Exact Mass347.06
IUPAC Name—
SMILESCC1CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O.[Na]
InChIInChI=1S/C10H17N2O8P.Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18);/t5?,6-,7+,8+;/m0./s1
InChIKeyOUNZAUODDWJICN-TVEPBQBDSA-N
XLogP-1.62
TPSA145.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 156589497
1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 156594917
(5R)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 90295344
1-[5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 45052348
trisodium;tris((2R,3S,5R)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-olate)
CID 122130824
[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl benzoate
CID 178185965
[3-[hydroxy-[[4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 10189666
CID 18531019
CID 18531019
[(2R,3S,5R)-5-(5-diazo-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 18608218
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 135506352
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568

Frequently Asked Questions

What is the IUPAC name of CID 156592060?
The IUPAC name of CID 156592060 (CID 156592060) is not available.
What is the SMILES notation for CID 156592060?
The canonical SMILES for CID 156592060 is CC1CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O.[Na].
What is the InChIKey of CID 156592060?
The InChIKey is OUNZAUODDWJICN-TVEPBQBDSA-N. The full InChI is InChI=1S/C10H17N2O8P.Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18);/t5?,6-,7+,8+;/m0./s1.
What are the key properties of CID 156592060?
CID 156592060 has a molecular weight of 347.22 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156592060 is sourced from PubChem (CID 156592060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).