(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol

C9H22NO4P — CID 164776106

IUPAC(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol
SMILESCC(C)OP(=O)(N[C@H](C)CO)OC(C)C
InChIInChI=1S/C9H22NO4P/c1-7(2)13-15(12,14-8(3)4)10-9(5)6-11/h7-9,11H,6H2,1-5H3,(H,10,12)/t9-/m1/s1
InChIKeyHOCNTGJDDBZSBK-SECBINFHSA-N
MW239.25 g/mol
LogP1.91
Rot. Bonds7

About (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol

(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol (PubChem CID 164776106) has the molecular formula C9H22NO4P and a molecular weight of 239.25 g/mol. Its IUPAC name is (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol
PubChem CID164776106
Molecular FormulaC9H22NO4P
Molecular Weight239.25 g/mol
Exact Mass239.13
IUPAC Name(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol
SMILESCC(C)OP(=O)(N[C@H](C)CO)OC(C)C
InChIInChI=1S/C9H22NO4P/c1-7(2)13-15(12,14-8(3)4)10-9(5)6-11/h7-9,11H,6H2,1-5H3,(H,10,12)/t9-/m1/s1
InChIKeyHOCNTGJDDBZSBK-SECBINFHSA-N
XLogP1.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol?
The IUPAC name of (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol (CID 164776106) is (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol is CC(C)OP(=O)(N[C@H](C)CO)OC(C)C.
What is the InChIKey of (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol?
The InChIKey is HOCNTGJDDBZSBK-SECBINFHSA-N. The full InChI is InChI=1S/C9H22NO4P/c1-7(2)13-15(12,14-8(3)4)10-9(5)6-11/h7-9,11H,6H2,1-5H3,(H,10,12)/t9-/m1/s1.
What are the key properties of (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol?
(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol has a molecular weight of 239.25 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol is sourced from PubChem (CID 164776106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).