(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide

C24H47O4P — CID 53240248

IUPAC(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CC(CCCCCC)[C@@H]1C[C@H](CCCCCCCCCCC)O[P@](=O)(OC)O1
InChIInChI=1S/C24H47O4P/c1-5-8-10-12-13-14-15-16-18-20-23-21-24(28-29(25,26-4)27-23)22(7-3)19-17-11-9-6-2/h7,22-24H,3,5-6,8-21H2,1-2,4H3/t22?,23-,24-,29-/m0/s1
InChIKeyOFCMGUJOQUSWEE-RAUCRBKQSA-N
MW430.61 g/mol
LogP8.61
Rot. Bonds18

About (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide

(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 53240248) has the molecular formula C24H47O4P and a molecular weight of 430.61 g/mol. Its IUPAC name is (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID53240248
Molecular FormulaC24H47O4P
Molecular Weight430.61 g/mol
Exact Mass430.32
IUPAC Name(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CC(CCCCCC)[C@@H]1C[C@H](CCCCCCCCCCC)O[P@](=O)(OC)O1
InChIInChI=1S/C24H47O4P/c1-5-8-10-12-13-14-15-16-18-20-23-21-24(28-29(25,26-4)27-23)22(7-3)19-17-11-9-6-2/h7,22-24H,3,5-6,8-21H2,1-2,4H3/t22?,23-,24-,29-/m0/s1
InChIKeyOFCMGUJOQUSWEE-RAUCRBKQSA-N
XLogP8.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 53240248) is (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide is C=CC(CCCCCC)[C@@H]1C[C@H](CCCCCCCCCCC)O[P@](=O)(OC)O1.
What is the InChIKey of (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is OFCMGUJOQUSWEE-RAUCRBKQSA-N. The full InChI is InChI=1S/C24H47O4P/c1-5-8-10-12-13-14-15-16-18-20-23-21-24(28-29(25,26-4)27-23)22(7-3)19-17-11-9-6-2/h7,22-24H,3,5-6,8-21H2,1-2,4H3/t22?,23-,24-,29-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide?
(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 430.61 g/mol, XLogP of 8.61, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 53240248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).