CID 67443872

C25H30F2N3O9P — CID 67443872

IUPAC—
SMILESC[C@H](/N=[P+](\[O-])Oc1ccc(F)cc1OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)C(=O)OC1CCCCC1
InChIInChI=1S/C25H30F2N3O9P/c1-14(22(33)37-16-6-4-3-5-7-16)29-40(35)39-17-9-8-15(26)12-18(17)36-13-19-21(32)25(2,27)23(38-19)30-11-10-20(31)28-24(30)34/h8-12,14,16,19,21,23,32H,3-7,13H2,1-2H3,(H,28,31,34)/t14-,19+,21+,23+,25+/m0/s1
InChIKeyOMHWHWSBOAYSEZ-SZCJYMSISA-N
MW585.50 g/mol
LogP2.24
Rot. Bonds9

About CID 67443872

CID 67443872 (PubChem CID 67443872) has the molecular formula C25H30F2N3O9P and a molecular weight of 585.50 g/mol.

Molecular Properties

Compound NameCID 67443872
PubChem CID67443872
Molecular FormulaC25H30F2N3O9P
Molecular Weight585.50 g/mol
Exact Mass585.17
IUPAC Name—
SMILESC[C@H](/N=[P+](\[O-])Oc1ccc(F)cc1OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)C(=O)OC1CCCCC1
InChIInChI=1S/C25H30F2N3O9P/c1-14(22(33)37-16-6-4-3-5-7-16)29-40(35)39-17-9-8-15(26)12-18(17)36-13-19-21(32)25(2,27)23(38-19)30-11-10-20(31)28-24(30)34/h8-12,14,16,19,21,23,32H,3-7,13H2,1-2H3,(H,28,31,34)/t14-,19+,21+,23+,25+/m0/s1
InChIKeyOMHWHWSBOAYSEZ-SZCJYMSISA-N
XLogP2.24
TPSA164.50 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze CID 67443872 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67442642
CID 67442642
[4-bromo-2-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-[(1S)-1-carboxyethyl]imino-oxidophosphanium
CID 142701917
[(1S)-1-carboxypropyl]imino-[2-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxidophosphanium
CID 142701927
[[(2S)-1-cyclobutyloxy-1-oxopropan-2-yl]amino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
CID 154930099
cyclobutyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 142418836
cyclohexyl (2S)-2-[[1,3-benzodioxol-4-yloxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]phosphoryl]amino]propanoate
CID 86291092
1-[5-(ethoxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 91540180
cyclohexyl (2S)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-(4-fluorophenoxy)phosphoryl]amino]propanoate
CID 66562108
CID 118672183
CID 118672183
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl heptanoate
CID 172874316
[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy thiohypoiodite
CID 144807349
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(1-ethoxy-1-oxopropan-2-yl)-(4-fluorophenoxy)amino]-oxophosphanium
CID 87401817

Frequently Asked Questions

What is the IUPAC name of CID 67443872?
The IUPAC name of CID 67443872 (CID 67443872) is not available.
What is the SMILES notation for CID 67443872?
The canonical SMILES for CID 67443872 is C[C@H](/N=[P+](\[O-])Oc1ccc(F)cc1OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)C(=O)OC1CCCCC1.
What is the InChIKey of CID 67443872?
The InChIKey is OMHWHWSBOAYSEZ-SZCJYMSISA-N. The full InChI is InChI=1S/C25H30F2N3O9P/c1-14(22(33)37-16-6-4-3-5-7-16)29-40(35)39-17-9-8-15(26)12-18(17)36-13-19-21(32)25(2,27)23(38-19)30-11-10-20(31)28-24(30)34/h8-12,14,16,19,21,23,32H,3-7,13H2,1-2H3,(H,28,31,34)/t14-,19+,21+,23+,25+/m0/s1.
What are the key properties of CID 67443872?
CID 67443872 has a molecular weight of 585.50 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67443872 is sourced from PubChem (CID 67443872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).