8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%

C10H13BrN5NaO8P — CID 135445684

IUPAC—
SMILESNc1nc2c(nc(Br)n2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.[Na]
InChIInChI=1S/C10H13BrN5O8P.Na/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22;/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19);
InChIKeyCMPGYSGSGGRYCP-UHFFFAOYSA-N
MW465.11 g/mol
LogP-2.19
Rot. Bonds4

About 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%

8-Bromoguanosine 5'-monophosphate sodium salt, 95-98% (PubChem CID 135445684) has the molecular formula C10H13BrN5NaO8P and a molecular weight of 465.11 g/mol.

Molecular Properties

Compound Name8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%
PubChem CID135445684
Molecular FormulaC10H13BrN5NaO8P
Molecular Weight465.11 g/mol
Exact Mass463.96
IUPAC Name—
SMILESNc1nc2c(nc(Br)n2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.[Na]
InChIInChI=1S/C10H13BrN5O8P.Na/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22;/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19);
InChIKeyCMPGYSGSGGRYCP-UHFFFAOYSA-N
XLogP-2.19
TPSA206.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.11
LogP ≤ 5-2.19
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

sodium [5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 155897225
2-amino-8-bromo-9-[(2S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrate
CID 136835827
CID 135887834
CID 135887834
[(2R,3S,4R,5R)-5-[2-amino-6-oxo-8-(2-phenylethenyl)-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 137240758
[(2R,3S,4R,5R)-5-[2-amino-8-(4-ethylphenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 136511194
[5-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 135421946
[(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
[[(2S,3R,4S,5S)-5-(2-amino-8-azido-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 135890069
[[(2R,3S,4R,5R)-5-(8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 172874553
[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-8-yl]phosphonic acid
CID 175301298
[(2R,3S,4R,5R)-5-[2-amino-8-(2-aminoethylsulfanyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 137119527

Frequently Asked Questions

What is the IUPAC name of 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%?
The IUPAC name of 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98% (CID 135445684) is not available.
What is the SMILES notation for 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%?
The canonical SMILES for 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98% is Nc1nc2c(nc(Br)n2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.[Na].
What is the InChIKey of 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%?
The InChIKey is CMPGYSGSGGRYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN5O8P.Na/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22;/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19);.
What are the key properties of 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98%?
8-Bromoguanosine 5'-monophosphate sodium salt, 95-98% has a molecular weight of 465.11 g/mol, XLogP of -2.19, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-Bromoguanosine 5'-monophosphate sodium salt, 95-98% is sourced from PubChem (CID 135445684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).