(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde

C24H31NO8 — CID 10874219

IUPAC(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde
SMILESCO[C@H]1C(=O)N([C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C24H31NO8/c1-23(2)29-12-15(31-23)19-18(32-24(3,4)33-19)14(11-26)25-16(21(28-5)22(25)27)20-17(30-20)13-9-7-6-8-10-13/h6-11,14-21H,12H2,1-5H3/t14-,15+,16-,17-,18+,19+,20-,21+/m0/s1
InChIKeyAJGDBZUBJJRPPP-KYDMIEGSSA-N
MW461.51 g/mol
LogP1.59
Rot. Bonds7

About (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde

(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde (PubChem CID 10874219) has the molecular formula C24H31NO8 and a molecular weight of 461.51 g/mol. Its IUPAC name is (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde
PubChem CID10874219
Molecular FormulaC24H31NO8
Molecular Weight461.51 g/mol
Exact Mass461.20
IUPAC Name(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde
SMILESCO[C@H]1C(=O)N([C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C24H31NO8/c1-23(2)29-12-15(31-23)19-18(32-24(3,4)33-19)14(11-26)25-16(21(28-5)22(25)27)20-17(30-20)13-9-7-6-8-10-13/h6-11,14-21H,12H2,1-5H3/t14-,15+,16-,17-,18+,19+,20-,21+/m0/s1
InChIKeyAJGDBZUBJJRPPP-KYDMIEGSSA-N
XLogP1.59
TPSA96.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde?
The IUPAC name of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde (CID 10874219) is (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde?
The canonical SMILES for (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde is CO[C@H]1C(=O)N([C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde?
The InChIKey is AJGDBZUBJJRPPP-KYDMIEGSSA-N. The full InChI is InChI=1S/C24H31NO8/c1-23(2)29-12-15(31-23)19-18(32-24(3,4)33-19)14(11-26)25-16(21(28-5)22(25)27)20-17(30-20)13-9-7-6-8-10-13/h6-11,14-21H,12H2,1-5H3/t14-,15+,16-,17-,18+,19+,20-,21+/m0/s1.
What are the key properties of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde?
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde has a molecular weight of 461.51 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde is sourced from PubChem (CID 10874219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).