(2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol

C10H23O5P — CID 22851233

IUPAC(2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol
SMILESCC(C)OP(=O)(CO[C@@H](C)CO)OC(C)C
InChIInChI=1S/C10H23O5P/c1-8(2)14-16(12,15-9(3)4)7-13-10(5)6-11/h8-11H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyGBEYDLJVQIBTIN-JTQLQIEISA-N
MW254.26 g/mol
LogP2.38
Rot. Bonds8

About (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol

(2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol (PubChem CID 22851233) has the molecular formula C10H23O5P and a molecular weight of 254.26 g/mol. Its IUPAC name is (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol
PubChem CID22851233
Molecular FormulaC10H23O5P
Molecular Weight254.26 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol
SMILESCC(C)OP(=O)(CO[C@@H](C)CO)OC(C)C
InChIInChI=1S/C10H23O5P/c1-8(2)14-16(12,15-9(3)4)7-13-10(5)6-11/h8-11H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyGBEYDLJVQIBTIN-JTQLQIEISA-N
XLogP2.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol?
The IUPAC name of (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol (CID 22851233) is (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol.
What is the SMILES notation for (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol?
The canonical SMILES for (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol is CC(C)OP(=O)(CO[C@@H](C)CO)OC(C)C.
What is the InChIKey of (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol?
The InChIKey is GBEYDLJVQIBTIN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23O5P/c1-8(2)14-16(12,15-9(3)4)7-13-10(5)6-11/h8-11H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol?
(2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol has a molecular weight of 254.26 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol is sourced from PubChem (CID 22851233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).