cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron

C30H48FeN4O10P- — CID 162294503

IUPACcyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron
SMILESC1CCCC1.COP(=O)([O-])OC1CC(n2cc(/C=C/C(=O)NCCCCCCNC(=O)C3CCCC3)c(=O)[nH]c2=O)OC1CO.[Fe]
InChIInChI=1S/C25H39N4O10P.C5H10.Fe/c1-37-40(35,36)39-19-14-22(38-20(19)16-30)29-15-18(24(33)28-25(29)34)10-11-21(31)26-12-6-2-3-7-13-27-23(32)17-8-4-5-9-17;1-2-4-5-3-1;/h10-11,15,17,19-20,22,30H,2-9,12-14,16H2,1H3,(H,26,31)(H,27,32)(H,35,36)(H,28,33,34);1-5H2;/p-1/b11-10+;;
InChIKeyPPTSPNPIZRPMAG-BGNBUWATSA-M
MW711.55 g/mol
LogP2.26
Rot. Bonds15

About cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron

cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron (PubChem CID 162294503) has the molecular formula C30H48FeN4O10P- and a molecular weight of 711.55 g/mol. Its IUPAC name is cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron.

Molecular Properties

Compound Namecyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron
PubChem CID162294503
Molecular FormulaC30H48FeN4O10P-
Molecular Weight711.55 g/mol
Exact Mass711.25
IUPAC Namecyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron
SMILESC1CCCC1.COP(=O)([O-])OC1CC(n2cc(/C=C/C(=O)NCCCCCCNC(=O)C3CCCC3)c(=O)[nH]c2=O)OC1CO.[Fe]
InChIInChI=1S/C25H39N4O10P.C5H10.Fe/c1-37-40(35,36)39-19-14-22(38-20(19)16-30)29-15-18(24(33)28-25(29)34)10-11-21(31)26-12-6-2-3-7-13-27-23(32)17-8-4-5-9-17;1-2-4-5-3-1;/h10-11,15,17,19-20,22,30H,2-9,12-14,16H2,1H3,(H,26,31)(H,27,32)(H,35,36)(H,28,33,34);1-5H2;/p-1/b11-10+;;
InChIKeyPPTSPNPIZRPMAG-BGNBUWATSA-M
XLogP2.26
TPSA201.11 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.55
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron?
The IUPAC name of cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron (CID 162294503) is cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron.
What is the SMILES notation for cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron?
The canonical SMILES for cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron is C1CCCC1.COP(=O)([O-])OC1CC(n2cc(/C=C/C(=O)NCCCCCCNC(=O)C3CCCC3)c(=O)[nH]c2=O)OC1CO.[Fe].
What is the InChIKey of cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron?
The InChIKey is PPTSPNPIZRPMAG-BGNBUWATSA-M. The full InChI is InChI=1S/C25H39N4O10P.C5H10.Fe/c1-37-40(35,36)39-19-14-22(38-20(19)16-30)29-15-18(24(33)28-25(29)34)10-11-21(31)26-12-6-2-3-7-13-27-23(32)17-8-4-5-9-17;1-2-4-5-3-1;/h10-11,15,17,19-20,22,30H,2-9,12-14,16H2,1H3,(H,26,31)(H,27,32)(H,35,36)(H,28,33,34);1-5H2;/p-1/b11-10+;;.
What are the key properties of cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron?
cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron has a molecular weight of 711.55 g/mol, XLogP of 2.26, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[5-[5-[(E)-3-[6-(cyclopentanecarbonylamino)hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] methyl phosphate;iron is sourced from PubChem (CID 162294503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).