(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane

C18H36FNO3 — CID 143418543

IUPAC(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane
SMILESC/C=C\C(=C/C=C(\C)C[C@H](N)CF)CC(O)CO.CC.COC
InChIInChI=1S/C14H24FNO2.C2H6O.C2H6/c1-3-4-12(8-14(18)10-17)6-5-11(2)7-13(16)9-15;1-3-2;1-2/h3-6,13-14,17-18H,7-10,16H2,1-2H3;1-2H3;1-2H3/b4-3-,11-5+,12-6+;;/t13-,14?;;/m0../s1
InChIKeyXKDHGHJNOAJVGD-VYXIFWBNSA-N
MW333.49 g/mol
LogP3.15
Rot. Bonds8

About (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane

(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane (PubChem CID 143418543) has the molecular formula C18H36FNO3 and a molecular weight of 333.49 g/mol. Its IUPAC name is (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane.

Molecular Properties

Compound Name(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane
PubChem CID143418543
Molecular FormulaC18H36FNO3
Molecular Weight333.49 g/mol
Exact Mass333.27
IUPAC Name(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane
SMILESC/C=C\C(=C/C=C(\C)C[C@H](N)CF)CC(O)CO.CC.COC
InChIInChI=1S/C14H24FNO2.C2H6O.C2H6/c1-3-4-12(8-14(18)10-17)6-5-11(2)7-13(16)9-15;1-3-2;1-2/h3-6,13-14,17-18H,7-10,16H2,1-2H3;1-2H3;1-2H3/b4-3-,11-5+,12-6+;;/t13-,14?;;/m0../s1
InChIKeyXKDHGHJNOAJVGD-VYXIFWBNSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
CID 143418544

Frequently Asked Questions

What is the IUPAC name of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane?
The IUPAC name of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane (CID 143418543) is (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane.
What is the SMILES notation for (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane?
The canonical SMILES for (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane is C/C=C\C(=C/C=C(\C)C[C@H](N)CF)CC(O)CO.CC.COC.
What is the InChIKey of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane?
The InChIKey is XKDHGHJNOAJVGD-VYXIFWBNSA-N. The full InChI is InChI=1S/C14H24FNO2.C2H6O.C2H6/c1-3-4-12(8-14(18)10-17)6-5-11(2)7-13(16)9-15;1-3-2;1-2/h3-6,13-14,17-18H,7-10,16H2,1-2H3;1-2H3;1-2H3/b4-3-,11-5+,12-6+;;/t13-,14?;;/m0../s1.
What are the key properties of (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane?
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane has a molecular weight of 333.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol;ethane;methoxymethane is sourced from PubChem (CID 143418543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).