(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal

C15H25NO6 — CID 10543347

IUPAC(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal
SMILESCOCO[C@H](C=O)[C@@H](C)CCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO6/c1-10(2)12-8-21-15(19)16(12)14(18)6-5-11(3)13(7-17)22-9-20-4/h7,10-13H,5-6,8-9H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyNJTLKBRBVYBENB-YNEHKIRRSA-N
MW315.37 g/mol
LogP1.59
Rot. Bonds9

About (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal

(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal (PubChem CID 10543347) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal
PubChem CID10543347
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal
SMILESCOCO[C@H](C=O)[C@@H](C)CCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO6/c1-10(2)12-8-21-15(19)16(12)14(18)6-5-11(3)13(7-17)22-9-20-4/h7,10-13H,5-6,8-9H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyNJTLKBRBVYBENB-YNEHKIRRSA-N
XLogP1.59
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal?
The IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal (CID 10543347) is (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal.
What is the SMILES notation for (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal?
The canonical SMILES for (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal is COCO[C@H](C=O)[C@@H](C)CCC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal?
The InChIKey is NJTLKBRBVYBENB-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H25NO6/c1-10(2)12-8-21-15(19)16(12)14(18)6-5-11(3)13(7-17)22-9-20-4/h7,10-13H,5-6,8-9H2,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal?
(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal has a molecular weight of 315.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal is sourced from PubChem (CID 10543347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).