(4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one

C15H28NO5P — CID 10711692

IUPAC(4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one
SMILESC=CCOP(OC[C@H]1CC(=O)O[C@@H]1CO)N(C(C)C)C(C)C
InChIInChI=1S/C15H28NO5P/c1-6-7-19-22(16(11(2)3)12(4)5)20-10-13-8-15(18)21-14(13)9-17/h6,11-14,17H,1,7-10H2,2-5H3/t13-,14-,22?/m1/s1
InChIKeyNVBRPZIZTHGCGH-PMBFKINQSA-N
MW333.37 g/mol
LogP2.48
Rot. Bonds10

About (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one

(4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one (PubChem CID 10711692) has the molecular formula C15H28NO5P and a molecular weight of 333.37 g/mol. Its IUPAC name is (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one
PubChem CID10711692
Molecular FormulaC15H28NO5P
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name(4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one
SMILESC=CCOP(OC[C@H]1CC(=O)O[C@@H]1CO)N(C(C)C)C(C)C
InChIInChI=1S/C15H28NO5P/c1-6-7-19-22(16(11(2)3)12(4)5)20-10-13-8-15(18)21-14(13)9-17/h6,11-14,17H,1,7-10H2,2-5H3/t13-,14-,22?/m1/s1
InChIKeyNVBRPZIZTHGCGH-PMBFKINQSA-N
XLogP2.48
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one (CID 10711692) is (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one is C=CCOP(OC[C@H]1CC(=O)O[C@@H]1CO)N(C(C)C)C(C)C.
What is the InChIKey of (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is NVBRPZIZTHGCGH-PMBFKINQSA-N. The full InChI is InChI=1S/C15H28NO5P/c1-6-7-19-22(16(11(2)3)12(4)5)20-10-13-8-15(18)21-14(13)9-17/h6,11-14,17H,1,7-10H2,2-5H3/t13-,14-,22?/m1/s1.
What are the key properties of (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one?
(4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 333.37 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 10711692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).