(2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate

C26H50O12P2 — CID 58831606

About (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate

(2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate (PubChem CID 58831606) has the molecular formula C26H50O12P2 and a molecular weight of 616.62 g/mol. Its IUPAC name is (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate.

Molecular Properties

• Compound Name: (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate
• PubChem CID: 58831606
• Molecular Formula: C26H50O12P2
• Molecular Weight: 616.62 g/mol
• Exact Mass: 616.28
• IUPAC Name: (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate
• SMILES: CCCOP(=O)(OCC1OC(C)CC1OP(=O)(OCCC)OCC1OC(C)CC1OC)OC1CC(C)OC1CC
• InChI: InChI=1S/C26H50O12P2/c1-8-11-30-39(27,37-23-14-19(5)34-21(23)10-3)33-17-26-24(15-20(6)36-26)38-40(28,31-12-9-2)32-16-25-22(29-7)13-18(4)35-25/h18-26H,8-17H2,1-7H3
• InChIKey: UYTYIFFPJFUSNF-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 126.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.62
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate?

The IUPAC name of (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate (CID 58831606) is (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate.

What is the SMILES notation for (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate?

The canonical SMILES for (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate is CCCOP(=O)(OCC1OC(C)CC1OP(=O)(OCCC)OCC1OC(C)CC1OC)OC1CC(C)OC1CC.

What is the InChIKey of (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate?

The InChIKey is UYTYIFFPJFUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O12P2/c1-8-11-30-39(27,37-23-14-19(5)34-21(23)10-3)33-17-26-24(15-20(6)36-26)38-40(28,31-12-9-2)32-16-25-22(29-7)13-18(4)35-25/h18-26H,8-17H2,1-7H3.

What are the key properties of (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate?

(2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate has a molecular weight of 616.62 g/mol, XLogP of 5.82, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate is sourced from PubChem (CID 58831606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).