CID 70523066

C9H12N2NaO6 — CID 70523066

IUPAC—
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na]
InChIInChI=1S/C9H12N2O6.Na/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);/t4-,6-,7-,8-;/m1./s1
InChIKeyOMLQHJRGFGCXDH-IAIGYFSYSA-N
MW267.19 g/mol
LogP-3.23
Rot. Bonds2

About CID 70523066

CID 70523066 (PubChem CID 70523066) has the molecular formula C9H12N2NaO6 and a molecular weight of 267.19 g/mol.

Molecular Properties

Compound NameCID 70523066
PubChem CID70523066
Molecular FormulaC9H12N2NaO6
Molecular Weight267.19 g/mol
Exact Mass267.06
IUPAC Name—
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na]
InChIInChI=1S/C9H12N2O6.Na/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);/t4-,6-,7-,8-;/m1./s1
InChIKeyOMLQHJRGFGCXDH-IAIGYFSYSA-N
XLogP-3.23
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 5-3.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;dioxovanadium
CID 87329408
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 23616153
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 157236336
1-[(3S)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 171699529
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3R,5R,6S,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)oxepan-2-yl]pyrimidine-2,4-dione
CID 58940419

Frequently Asked Questions

What is the IUPAC name of CID 70523066?
The IUPAC name of CID 70523066 (CID 70523066) is not available.
What is the SMILES notation for CID 70523066?
The canonical SMILES for CID 70523066 is O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na].
What is the InChIKey of CID 70523066?
The InChIKey is OMLQHJRGFGCXDH-IAIGYFSYSA-N. The full InChI is InChI=1S/C9H12N2O6.Na/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);/t4-,6-,7-,8-;/m1./s1.
What are the key properties of CID 70523066?
CID 70523066 has a molecular weight of 267.19 g/mol, XLogP of -3.23, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70523066 is sourced from PubChem (CID 70523066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).