benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H23NO7 — CID 11164423

IUPACbenzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@H]([C@@H]2C[C@@H](O)[C@@H](O)C(=O)O2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO7/c1-18(2)19(17(23)24-9-11-6-4-3-5-7-11)12(10-25-18)14-8-13(20)15(21)16(22)26-14/h3-7,12-15,20-21H,8-10H2,1-2H3/t12-,13-,14+,15-/m1/s1
InChIKeyRFXWCQKNEZDBJI-APIJFGDWSA-N
MW365.38 g/mol
LogP0.80
Rot. Bonds3

About benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11164423) has the molecular formula C18H23NO7 and a molecular weight of 365.38 g/mol. Its IUPAC name is benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11164423
Molecular FormulaC18H23NO7
Molecular Weight365.38 g/mol
Exact Mass365.15
IUPAC Namebenzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@H]([C@@H]2C[C@@H](O)[C@@H](O)C(=O)O2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO7/c1-18(2)19(17(23)24-9-11-6-4-3-5-7-11)12(10-25-18)14-8-13(20)15(21)16(22)26-14/h3-7,12-15,20-21H,8-10H2,1-2H3/t12-,13-,14+,15-/m1/s1
InChIKeyRFXWCQKNEZDBJI-APIJFGDWSA-N
XLogP0.80
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-hydroxy-propyl)-methyl-carbamoyl]-3,4-dihydroxy-pentanoyl}-methyl-amino)-3-hydroxy-butyric acid
CID 44367311
Ethanaminium, 2-(diphenylmethoxy)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, inner salt
CID 178420
DIPHENHYDRAMINE_met013
CID 53463054
(6R,7R,8R,8aR)-6,7,8-trihydroxy-8a-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191255
Diphenhydramine-N-glucuronide
CID 131769988
[(1S,6R,7S,8R,8aR)-6-fluoro-7-hydroxy-5-oxo-8-phenylmethoxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-1-yl] acetate
CID 134934779
benzyl (4R)-4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 177853108
6-[2-Benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 53463053
Methyl (2S,5R)-1-cbz-5-hydroxy-6-methoxypipecolinate
CID 11771651
1-Benzyl 2-methyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate
CID 14081062
1-Benzyl 2-methyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate
CID 14081063
O2-Benzyl O1-tert-butyl (2S,3R,4S)-3,4-dihydroxypyrrolidine-1,2-dicarboxylate
CID 58814955

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11164423) is benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)OC[C@H]([C@@H]2C[C@@H](O)[C@@H](O)C(=O)O2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RFXWCQKNEZDBJI-APIJFGDWSA-N. The full InChI is InChI=1S/C18H23NO7/c1-18(2)19(17(23)24-9-11-6-4-3-5-7-11)12(10-25-18)14-8-13(20)15(21)16(22)26-14/h3-7,12-15,20-21H,8-10H2,1-2H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 365.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11164423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).