[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

C19H35O10P — CID 22965107

IUPAC[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
SMILESCC(C)OCC1(CO)OC(C)CC1OP(=O)(O)OC(=O)C1OC(C)CC1OC(C)C
InChIInChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23)
InChIKeyXTZDHJTXSVEBAF-UHFFFAOYSA-N
MW454.45 g/mol
LogP1.95
Rot. Bonds10

About [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (PubChem CID 22965107) has the molecular formula C19H35O10P and a molecular weight of 454.45 g/mol. Its IUPAC name is [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.

Molecular Properties

Compound Name[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
PubChem CID22965107
Molecular FormulaC19H35O10P
Molecular Weight454.45 g/mol
Exact Mass454.20
IUPAC Name[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
SMILESCC(C)OCC1(CO)OC(C)CC1OP(=O)(O)OC(=O)C1OC(C)CC1OC(C)C
InChIInChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23)
InChIKeyXTZDHJTXSVEBAF-UHFFFAOYSA-N
XLogP1.95
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The IUPAC name of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (CID 22965107) is [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.
What is the SMILES notation for [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The canonical SMILES for [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is CC(C)OCC1(CO)OC(C)CC1OP(=O)(O)OC(=O)C1OC(C)CC1OC(C)C.
What is the InChIKey of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The InChIKey is XTZDHJTXSVEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23).
What are the key properties of [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate has a molecular weight of 454.45 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is sourced from PubChem (CID 22965107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).