(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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Related Compounds

(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate
CID 58842010
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
5-methyl-4-prop-2-enyloxolan-2-one
CID 14489431
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008
prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]carbamate
CID 59947449
[(2S,3R,4R)-2,3-dimethyl-6-oxooxan-4-yl]methyl (2R)-2-methylbutanoate
CID 162819117
(4R,5R)-5-ethyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 10335005
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11320132
5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
CID 13412077
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
5-[(E)-3,4-dihydroxybut-2-enyl]-4-(hydroxymethyl)oxolan-2-one
CID 10352808

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).