carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

C15H25FN3O8P — CID 160727475

IUPACcarbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
SMILESCC(C)NP(C)(=O)OC[C@H]1O[C@@H](N2C=CC(O)NC2=O)[C@](C)(F)[C@@H]1O.O=C=O
InChIInChI=1S/C14H25FN3O6P.CO2/c1-8(2)17-25(4,22)23-7-9-11(20)14(3,15)12(24-9)18-6-5-10(19)16-13(18)21;2-1-3/h5-6,8-12,19-20H,7H2,1-4H3,(H,16,21)(H,17,22);/t9-,10?,11-,12-,14-,25?;/m1./s1
InChIKeyRTXANLKGPQHTGO-SKUGCGQZSA-N
MW425.35 g/mol
LogP-0.09
Rot. Bonds6

About carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one (PubChem CID 160727475) has the molecular formula C15H25FN3O8P and a molecular weight of 425.35 g/mol. Its IUPAC name is carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Namecarbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
PubChem CID160727475
Molecular FormulaC15H25FN3O8P
Molecular Weight425.35 g/mol
Exact Mass425.14
IUPAC Namecarbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
SMILESCC(C)NP(C)(=O)OC[C@H]1O[C@@H](N2C=CC(O)NC2=O)[C@](C)(F)[C@@H]1O.O=C=O
InChIInChI=1S/C14H25FN3O6P.CO2/c1-8(2)17-25(4,22)23-7-9-11(20)14(3,15)12(24-9)18-6-5-10(19)16-13(18)21;2-1-3/h5-6,8-12,19-20H,7H2,1-4H3,(H,16,21)(H,17,22);/t9-,10?,11-,12-,14-,25?;/m1./s1
InChIKeyRTXANLKGPQHTGO-SKUGCGQZSA-N
XLogP-0.09
TPSA154.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,4S,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59149391
3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 162572960
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2-phenylethynyl)phenoxy]phosphoryl]amino]propanoate
CID 118583277
bis(carbon dioxide);1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[[(2S)-3-methylbutan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[[(2S)-3-methylbutan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 160876505
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90164442
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 118491141
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridine-2,4-dione
CID 58475086
3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 129152249
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxo-1-pyridinyl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate
CID 158524376
propan-2-yl (2S)-2-[[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate
CID 58463526
2-[(2S)-2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(4-methylidene-2-oxo-1-pyridinyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]oxyacetic acid
CID 160858844
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(3-fluorophenyl)phenoxy]phosphoryl]amino]propanoate
CID 118583295

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The IUPAC name of carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one (CID 160727475) is carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The canonical SMILES for carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one is CC(C)NP(C)(=O)OC[C@H]1O[C@@H](N2C=CC(O)NC2=O)[C@](C)(F)[C@@H]1O.O=C=O.
What is the InChIKey of carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The InChIKey is RTXANLKGPQHTGO-SKUGCGQZSA-N. The full InChI is InChI=1S/C14H25FN3O6P.CO2/c1-8(2)17-25(4,22)23-7-9-11(20)14(3,15)12(24-9)18-6-5-10(19)16-13(18)21;2-1-3/h5-6,8-12,19-20H,7H2,1-4H3,(H,16,21)(H,17,22);/t9-,10?,11-,12-,14-,25?;/m1./s1.
What are the key properties of carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one has a molecular weight of 425.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 160727475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).