(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium

C6H7N6O3P — CID 139950197

IUPAC(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium
SMILESNc1nc(OC[P+](=O)[O-])c2[nH]c(N)nc2n1
InChIInChI=1S/C6H7N6O3P/c7-5-9-2-3(10-5)11-6(8)12-4(2)15-1-16(13)14/h1H2,(H5,7,8,9,10,11,12)
InChIKeyOMKSMKBMKQFWTD-UHFFFAOYSA-N
MW242.13 g/mol
LogP-1.04
Rot. Bonds3

About (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium

(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium (PubChem CID 139950197) has the molecular formula C6H7N6O3P and a molecular weight of 242.13 g/mol. Its IUPAC name is (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium.

Molecular Properties

Compound Name(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium
PubChem CID139950197
Molecular FormulaC6H7N6O3P
Molecular Weight242.13 g/mol
Exact Mass242.03
IUPAC Name(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium
SMILESNc1nc(OC[P+](=O)[O-])c2[nH]c(N)nc2n1
InChIInChI=1S/C6H7N6O3P/c7-5-9-2-3(10-5)11-6(8)12-4(2)15-1-16(13)14/h1H2,(H5,7,8,9,10,11,12)
InChIKeyOMKSMKBMKQFWTD-UHFFFAOYSA-N
XLogP-1.04
TPSA155.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium?
The IUPAC name of (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium (CID 139950197) is (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium.
What is the SMILES notation for (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium?
The canonical SMILES for (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium is Nc1nc(OC[P+](=O)[O-])c2[nH]c(N)nc2n1.
What is the InChIKey of (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium?
The InChIKey is OMKSMKBMKQFWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N6O3P/c7-5-9-2-3(10-5)11-6(8)12-4(2)15-1-16(13)14/h1H2,(H5,7,8,9,10,11,12).
What are the key properties of (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium?
(2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium has a molecular weight of 242.13 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-diamino-7H-purin-6-yl)oxymethyl-oxido-oxophosphanium is sourced from PubChem (CID 139950197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).