azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate

C8H44N4O20P4 — CID 158684118

IUPACazane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate
SMILESC.C.C.C.C.C.N.N.NC(N)=O.O.O=C=O.OOOOPOOPOO.OOOOPOOPOO
InChIInChI=1S/CH4N2O.CO2.6CH4.2H3N.2H4O8P2.H2O/c2-1(3)4;2-1-3;;;;;;;;;2*1-3-5-6-10-8-7-9-4-2;/h(H4,2,3,4);;6*1H4;2*1H3;2*1-2,9-10H;1H2
InChIKeyMPWWLBDGKJUNLF-UHFFFAOYSA-N
MW640.34 g/mol
LogP3.34
Rot. Bonds14

About azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate

azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate (PubChem CID 158684118) has the molecular formula C8H44N4O20P4 and a molecular weight of 640.34 g/mol. Its IUPAC name is azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate.

Molecular Properties

Compound Nameazane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate
PubChem CID158684118
Molecular FormulaC8H44N4O20P4
Molecular Weight640.34 g/mol
Exact Mass640.15
IUPAC Nameazane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate
SMILESC.C.C.C.C.C.N.N.NC(N)=O.O.O=C=O.OOOOPOOPOO.OOOOPOOPOO
InChIInChI=1S/CH4N2O.CO2.6CH4.2H3N.2H4O8P2.H2O/c2-1(3)4;2-1-3;;;;;;;;;2*1-3-5-6-10-8-7-9-4-2;/h(H4,2,3,4);;6*1H4;2*1H3;2*1-2,9-10H;1H2
InChIKeyMPWWLBDGKJUNLF-UHFFFAOYSA-N
XLogP3.34
TPSA396.43 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500640.34
LogP ≤ 53.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate?
The IUPAC name of azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate (CID 158684118) is azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate.
What is the SMILES notation for azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate?
The canonical SMILES for azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate is C.C.C.C.C.C.N.N.NC(N)=O.O.O=C=O.OOOOPOOPOO.OOOOPOOPOO.
What is the InChIKey of azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate?
The InChIKey is MPWWLBDGKJUNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CO2.6CH4.2H3N.2H4O8P2.H2O/c2-1(3)4;2-1-3;;;;;;;;;2*1-3-5-6-10-8-7-9-4-2;/h(H4,2,3,4);;6*1H4;2*1H3;2*1-2,9-10H;1H2.
What are the key properties of azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate?
azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate has a molecular weight of 640.34 g/mol, XLogP of 3.34, 14 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbon dioxide;hydroperoxy(hydroperoxyperoxyphosphanylperoxy)phosphane;methane;urea;hydrate is sourced from PubChem (CID 158684118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).