[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate

C10H24NO6PS — CID 164776105

IUPAC[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate
SMILESCC(C)OP(=O)(N[C@H](C)COS(C)(=O)=O)OC(C)C
InChIInChI=1S/C10H24NO6PS/c1-8(2)16-18(12,17-9(3)4)11-10(5)7-15-19(6,13)14/h8-10H,7H2,1-6H3,(H,11,12)/t10-/m1/s1
InChIKeyWSGQMNGOELJIDO-SNVBAGLBSA-N
MW317.34 g/mol
LogP1.90
Rot. Bonds9

About [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate

[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate (PubChem CID 164776105) has the molecular formula C10H24NO6PS and a molecular weight of 317.34 g/mol. Its IUPAC name is [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate
PubChem CID164776105
Molecular FormulaC10H24NO6PS
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate
SMILESCC(C)OP(=O)(N[C@H](C)COS(C)(=O)=O)OC(C)C
InChIInChI=1S/C10H24NO6PS/c1-8(2)16-18(12,17-9(3)4)11-10(5)7-15-19(6,13)14/h8-10H,7H2,1-6H3,(H,11,12)/t10-/m1/s1
InChIKeyWSGQMNGOELJIDO-SNVBAGLBSA-N
XLogP1.90
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate?
The IUPAC name of [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate (CID 164776105) is [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate.
What is the SMILES notation for [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate?
The canonical SMILES for [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate is CC(C)OP(=O)(N[C@H](C)COS(C)(=O)=O)OC(C)C.
What is the InChIKey of [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate?
The InChIKey is WSGQMNGOELJIDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H24NO6PS/c1-8(2)16-18(12,17-9(3)4)11-10(5)7-15-19(6,13)14/h8-10H,7H2,1-6H3,(H,11,12)/t10-/m1/s1.
What are the key properties of [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate?
[(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate has a molecular weight of 317.34 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[di(propan-2-yloxy)phosphorylamino]propyl] methanesulfonate is sourced from PubChem (CID 164776105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).