[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium

C24H30N4O9P+ — CID 87085793

IUPAC[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
SMILESCOC(=O)C(C(C)C)N(Oc1ccccc1)[P+](=O)OCC1OC(c2coc3c(N)ncnc23)C(C)(O)C1O
InChIInChI=1S/C24H30N4O9P/c1-13(2)18(23(30)33-4)28(37-14-8-6-5-7-9-14)38(32)35-11-16-20(29)24(3,31)21(36-16)15-10-34-19-17(15)26-12-27-22(19)25/h5-10,12-13,16,18,20-21,29,31H,11H2,1-4H3,(H2,25,26,27)/q+1
InChIKeyQDHSWOATFIHJRX-UHFFFAOYSA-N
MW549.50 g/mol
LogP2.52
Rot. Bonds10

About [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium

[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium (PubChem CID 87085793) has the molecular formula C24H30N4O9P+ and a molecular weight of 549.50 g/mol. Its IUPAC name is [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium.

Molecular Properties

Compound Name[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
PubChem CID87085793
Molecular FormulaC24H30N4O9P+
Molecular Weight549.50 g/mol
Exact Mass549.17
IUPAC Name[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
SMILESCOC(=O)C(C(C)C)N(Oc1ccccc1)[P+](=O)OCC1OC(c2coc3c(N)ncnc23)C(C)(O)C1O
InChIInChI=1S/C24H30N4O9P/c1-13(2)18(23(30)33-4)28(37-14-8-6-5-7-9-14)38(32)35-11-16-20(29)24(3,31)21(36-16)15-10-34-19-17(15)26-12-27-22(19)25/h5-10,12-13,16,18,20-21,29,31H,11H2,1-4H3,(H2,25,26,27)/q+1
InChIKeyQDHSWOATFIHJRX-UHFFFAOYSA-N
XLogP2.52
TPSA179.70 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium with MolForge

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Related Compounds

(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 71048291
S-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 11679069
[(2R,3R,4R,5R)-5-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium
CID 87534312
O-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-ethylphosphoryl]-2-[1-(dihydroxy-λ4-sulfanylidene)-2,2-dimethylpropoxy]ethyl] 2,2-dimethylpropanethioate
CID 173003296
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
CID 59859715
ethyl 2-[[[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 90873996
(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 143157481
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl cyclopropanecarboxylate
CID 25118986
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium
CID 134208592
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 58091476
7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol
CID 143157560

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium?
The IUPAC name of [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium (CID 87085793) is [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium.
What is the SMILES notation for [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium?
The canonical SMILES for [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium is COC(=O)C(C(C)C)N(Oc1ccccc1)[P+](=O)OCC1OC(c2coc3c(N)ncnc23)C(C)(O)C1O.
What is the InChIKey of [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium?
The InChIKey is QDHSWOATFIHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O9P/c1-13(2)18(23(30)33-4)28(37-14-8-6-5-7-9-14)38(32)35-11-16-20(29)24(3,31)21(36-16)15-10-34-19-17(15)26-12-27-22(19)25/h5-10,12-13,16,18,20-21,29,31H,11H2,1-4H3,(H2,25,26,27)/q+1.
What are the key properties of [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium?
[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium has a molecular weight of 549.50 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium is sourced from PubChem (CID 87085793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).