(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol

C23H46O4 — CID 154495932

IUPAC(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23(27)22(26)20-24/h18-19,21-27H,2-17,20H2,1H3/b19-18-/t21-,22-,23+/m1/s1
InChIKeyRHCDVIUYKKEJAD-LMUMXFAFSA-N
MW386.62 g/mol
LogP4.88
Rot. Bonds20

About (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol

(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol (PubChem CID 154495932) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol
PubChem CID154495932
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Name(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23(27)22(26)20-24/h18-19,21-27H,2-17,20H2,1H3/b19-18-/t21-,22-,23+/m1/s1
InChIKeyRHCDVIUYKKEJAD-LMUMXFAFSA-N
XLogP4.88
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol?
The IUPAC name of (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol (CID 154495932) is (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol is CCCCCCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol?
The InChIKey is RHCDVIUYKKEJAD-LMUMXFAFSA-N. The full InChI is InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23(27)22(26)20-24/h18-19,21-27H,2-17,20H2,1H3/b19-18-/t21-,22-,23+/m1/s1.
What are the key properties of (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol?
(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol has a molecular weight of 386.62 g/mol, XLogP of 4.88, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 154495932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).