2'-Deoxyinosine-5'-phosphate sodium

C10H13N4NaO7P — CID 135705215

IUPAC—
SMILESO=c1[nH]cnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.[Na]
InChIInChI=1S/C10H13N4O7P.Na/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16;/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19);
InChIKeyCUTSQLZMRYTJHJ-UHFFFAOYSA-N
MW355.20 g/mol
LogP-1.50
Rot. Bonds4

About 2'-Deoxyinosine-5'-phosphate sodium

2'-Deoxyinosine-5'-phosphate sodium (PubChem CID 135705215) has the molecular formula C10H13N4NaO7P and a molecular weight of 355.20 g/mol.

Molecular Properties

Compound Name2'-Deoxyinosine-5'-phosphate sodium
PubChem CID135705215
Molecular FormulaC10H13N4NaO7P
Molecular Weight355.20 g/mol
Exact Mass355.04
IUPAC Name—
SMILESO=c1[nH]cnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.[Na]
InChIInChI=1S/C10H13N4O7P.Na/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16;/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19);
InChIKeyCUTSQLZMRYTJHJ-UHFFFAOYSA-N
XLogP-1.50
TPSA159.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 135398614
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 170905175
2 inverted exclamation marka-Deoxyadenosine-5 inverted exclamation marka-monophosphate Sodium salt
CID 156592426
CID 131880854
CID 131880854
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 12599
[(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 57297101
9-[(2R,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 172642337
[4-chloro-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 137092605
[(2R,3S,5R)-5-(5-amino-7-oxoimidazo[4,5-d][1,3]oxazin-3-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 102318272
[5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 25245836
azane;[5-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 135505135
[3-[[3-[[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl [4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CID 135508836

Frequently Asked Questions

What is the IUPAC name of 2'-Deoxyinosine-5'-phosphate sodium?
The IUPAC name of 2'-Deoxyinosine-5'-phosphate sodium (CID 135705215) is not available.
What is the SMILES notation for 2'-Deoxyinosine-5'-phosphate sodium?
The canonical SMILES for 2'-Deoxyinosine-5'-phosphate sodium is O=c1[nH]cnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.[Na].
What is the InChIKey of 2'-Deoxyinosine-5'-phosphate sodium?
The InChIKey is CUTSQLZMRYTJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N4O7P.Na/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16;/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19);.
What are the key properties of 2'-Deoxyinosine-5'-phosphate sodium?
2'-Deoxyinosine-5'-phosphate sodium has a molecular weight of 355.20 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-Deoxyinosine-5'-phosphate sodium is sourced from PubChem (CID 135705215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).