Guanosine-3'-monophosphate disodium

C10H14N5NaO8P — CID 170847403

IUPAC—
SMILESNc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1.[Na]
InChIInChI=1S/C10H14N5O8P.Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);/t3-,5-,6-,9-;/m1./s1
InChIKeyDOMRQKZHTXBNQS-GWTDSMLYSA-N
MW386.21 g/mol
LogP-2.95
Rot. Bonds4

About Guanosine-3'-monophosphate disodium

Guanosine-3'-monophosphate disodium (PubChem CID 170847403) has the molecular formula C10H14N5NaO8P and a molecular weight of 386.21 g/mol.

Molecular Properties

Compound NameGuanosine-3'-monophosphate disodium
PubChem CID170847403
Molecular FormulaC10H14N5NaO8P
Molecular Weight386.21 g/mol
Exact Mass386.05
IUPAC Name—
SMILESNc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1.[Na]
InChIInChI=1S/C10H14N5O8P.Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);/t3-,5-,6-,9-;/m1./s1
InChIKeyDOMRQKZHTXBNQS-GWTDSMLYSA-N
XLogP-2.95
TPSA206.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.21
LogP ≤ 5-2.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 137179828
CID 137179828
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 135398727
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;N-methylacetamide
CID 175693805
CID 170845327
CID 170845327
[(3R,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 135625234
2-amino-9-[(2R,3R,4S,5R)-4-dihydroxyphosphinothioyloxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136594144
[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluorooxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 155784041
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
CID 135887834
CID 135887834
[(2R,3R,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 135567331
[(2S,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 136847914
[(2R,3R,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 172897620

Frequently Asked Questions

What is the IUPAC name of Guanosine-3'-monophosphate disodium?
The IUPAC name of Guanosine-3'-monophosphate disodium (CID 170847403) is not available.
What is the SMILES notation for Guanosine-3'-monophosphate disodium?
The canonical SMILES for Guanosine-3'-monophosphate disodium is Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1.[Na].
What is the InChIKey of Guanosine-3'-monophosphate disodium?
The InChIKey is DOMRQKZHTXBNQS-GWTDSMLYSA-N. The full InChI is InChI=1S/C10H14N5O8P.Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);/t3-,5-,6-,9-;/m1./s1.
What are the key properties of Guanosine-3'-monophosphate disodium?
Guanosine-3'-monophosphate disodium has a molecular weight of 386.21 g/mol, XLogP of -2.95, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Guanosine-3'-monophosphate disodium is sourced from PubChem (CID 170847403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).