sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride

C8H12N3NaO3S — CID 175228368

IUPACsodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride
SMILESNc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1.[H-].[Na+]
InChIInChI=1S/C8H11N3O3S.Na.H/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6;;/h1-2,6-7,12H,3-4H2,(H2,9,10,13);;/q;+1;-1/t6-,7+;;/m0../s1
InChIKeyASGQPAAKQQRDSI-AUCRBCQYSA-N
MW253.26 g/mol
LogP-3.48
Rot. Bonds2

About sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride

sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride (PubChem CID 175228368) has the molecular formula C8H12N3NaO3S and a molecular weight of 253.26 g/mol. Its IUPAC name is sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride.

Molecular Properties

Compound Namesodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride
PubChem CID175228368
Molecular FormulaC8H12N3NaO3S
Molecular Weight253.26 g/mol
Exact Mass253.05
IUPAC Namesodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride
SMILESNc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1.[H-].[Na+]
InChIInChI=1S/C8H11N3O3S.Na.H/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6;;/h1-2,6-7,12H,3-4H2,(H2,9,10,13);;/q;+1;-1/t6-,7+;;/m0../s1
InChIKeyASGQPAAKQQRDSI-AUCRBCQYSA-N
XLogP-3.48
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-3.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride with MolForge

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Related Compounds

4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;phosphoric acid
CID 173006607
bis(4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one);sulfuric acid
CID 78322817
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one phosphate
CID 56847966
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;3-hydroxynaphthalene-2-carboxylic acid
CID 51353489
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 46241305
bis[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] decanedioate
CID 70690680
4-amino-1-[(2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 11256415
(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carbaldehyde
CID 170456008
[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 171380193
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butyl carbonate
CID 46226983
4-amino-1-[2-(1-hydroxyethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 91368012
4-amino-5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 22858382

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride?
The IUPAC name of sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride (CID 175228368) is sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride.
What is the SMILES notation for sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride?
The canonical SMILES for sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride is Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1.[H-].[Na+].
What is the InChIKey of sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride?
The InChIKey is ASGQPAAKQQRDSI-AUCRBCQYSA-N. The full InChI is InChI=1S/C8H11N3O3S.Na.H/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6;;/h1-2,6-7,12H,3-4H2,(H2,9,10,13);;/q;+1;-1/t6-,7+;;/m0../s1.
What are the key properties of sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride?
sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride has a molecular weight of 253.26 g/mol, XLogP of -3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride is sourced from PubChem (CID 175228368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).