1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium

C10H15N5O4P+ — CID 173311728

IUPAC1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium
SMILESCCC(COCn1cnc2c(N)ncnc21)O[P+](=O)O
InChIInChI=1S/C10H14N5O4P/c1-2-7(19-20(16)17)3-18-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,2-3,6H2,1H3,(H2-,11,12,13,16,17)/p+1
InChIKeyGJVFVFYBNJFYCB-UHFFFAOYSA-O
MW300.24 g/mol
LogP0.83
Rot. Bonds7

About 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium

1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium (PubChem CID 173311728) has the molecular formula C10H15N5O4P+ and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium
PubChem CID173311728
Molecular FormulaC10H15N5O4P+
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium
SMILESCCC(COCn1cnc2c(N)ncnc21)O[P+](=O)O
InChIInChI=1S/C10H14N5O4P/c1-2-7(19-20(16)17)3-18-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,2-3,6H2,1H3,(H2-,11,12,13,16,17)/p+1
InChIKeyGJVFVFYBNJFYCB-UHFFFAOYSA-O
XLogP0.83
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium with MolForge

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Launch Full Analysis

Related Compounds

[2-[(6-aminopurin-9-yl)methoxy]-3-methoxycarbonyloxypropyl] methyl carbonate
CID 70449513
[2-[(6-aminopurin-9-yl)methoxy]-3-butoxycarbonyloxypropyl] butyl carbonate
CID 70450455
9-(2-chloroethoxymethyl)purin-6-amine
CID 10013983
2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate
CID 10424192
2-[(6-aminopurin-9-yl)methoxy]-3-chloropropan-1-ol
CID 14410788
[(E)-3-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880407
(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
CID 102020867
9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
CID 10824507
[(E)-1-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880418
9-[2-(diethoxyphosphorylmethoxy)butyl]purin-6-amine
CID 89080666
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088

Frequently Asked Questions

What is the IUPAC name of 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium?
The IUPAC name of 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium (CID 173311728) is 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium is CCC(COCn1cnc2c(N)ncnc21)O[P+](=O)O.
What is the InChIKey of 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium?
The InChIKey is GJVFVFYBNJFYCB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N5O4P/c1-2-7(19-20(16)17)3-18-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,2-3,6H2,1H3,(H2-,11,12,13,16,17)/p+1.
What are the key properties of 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium?
1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium has a molecular weight of 300.24 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 173311728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).