CID 117064903

C18H34O8V2 — CID 117064903

IUPAC—
SMILESC1CCCC1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[CH]1[CH]CCC1.[V].[V]
InChIInChI=1S/C5H10.C5H8.4C2H4O2.2V/c2*1-2-4-5-3-1;4*1-2(3)4;;/h1-5H2;1-2H,3-5H2;4*1H3,(H,3,4);;
InChIKeyYLEWRNSPGWSQET-UHFFFAOYSA-N
MW480.35 g/mol
LogP3.89
Rot. Bonds

About CID 117064903

CID 117064903 (PubChem CID 117064903) has the molecular formula C18H34O8V2 and a molecular weight of 480.35 g/mol.

Molecular Properties

Compound NameCID 117064903
PubChem CID117064903
Molecular FormulaC18H34O8V2
Molecular Weight480.35 g/mol
Exact Mass480.11
IUPAC Name—
SMILESC1CCCC1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[CH]1[CH]CCC1.[V].[V]
InChIInChI=1S/C5H10.C5H8.4C2H4O2.2V/c2*1-2-4-5-3-1;4*1-2(3)4;;/h1-5H2;1-2H,3-5H2;4*1H3,(H,3,4);;
InChIKeyYLEWRNSPGWSQET-UHFFFAOYSA-N
XLogP3.89
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 117064903?
The IUPAC name of CID 117064903 (CID 117064903) is not available.
What is the SMILES notation for CID 117064903?
The canonical SMILES for CID 117064903 is C1CCCC1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[CH]1[CH]CCC1.[V].[V].
What is the InChIKey of CID 117064903?
The InChIKey is YLEWRNSPGWSQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C5H8.4C2H4O2.2V/c2*1-2-4-5-3-1;4*1-2(3)4;;/h1-5H2;1-2H,3-5H2;4*1H3,(H,3,4);;.
What are the key properties of CID 117064903?
CID 117064903 has a molecular weight of 480.35 g/mol, XLogP of 3.89, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 117064903 is sourced from PubChem (CID 117064903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).