(4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one

C10H15NO6 — CID 11356990

IUPAC(4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(=O)N3)[C@@H](O)[C@H]2O1
InChIInChI=1S/C10H15NO6/c1-10(2)16-7-5(12)6(15-8(7)17-10)4-3-14-9(13)11-4/h4-8,12H,3H2,1-2H3,(H,11,13)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyNCYYICDWBZWZSB-FMDGEEDCSA-N
MW245.23 g/mol
LogP-0.67
Rot. Bonds1

About (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one

(4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 11356990) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one
PubChem CID11356990
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(=O)N3)[C@@H](O)[C@H]2O1
InChIInChI=1S/C10H15NO6/c1-10(2)16-7-5(12)6(15-8(7)17-10)4-3-14-9(13)11-4/h4-8,12H,3H2,1-2H3,(H,11,13)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyNCYYICDWBZWZSB-FMDGEEDCSA-N
XLogP-0.67
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dioxolan-2-one
CID 10634140
(3aS,5S,6S,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124744801
2,2-dimethyl-5-[(2R)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135037394
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642
(5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 12613921
(3aR,5S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 70373210
(6R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 58695068
(3aR,5S,6S,6aR)-5-[(5R)-2-(benzylamino)-4,5-dihydro-1H-imidazol-5-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;hydrochloride
CID 53388266
(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(4R)-2-octylimino-1,3-thiazolidin-4-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 136721428
(9S)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 45039605
(1R,2S,6S,8S,9R)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 42578994
(1R,2R,6R,8S,9S)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 11229657

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one (CID 11356990) is (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one is CC1(C)O[C@H]2O[C@H]([C@H]3COC(=O)N3)[C@@H](O)[C@H]2O1.
What is the InChIKey of (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is NCYYICDWBZWZSB-FMDGEEDCSA-N. The full InChI is InChI=1S/C10H15NO6/c1-10(2)16-7-5(12)6(15-8(7)17-10)4-3-14-9(13)11-4/h4-8,12H,3H2,1-2H3,(H,11,13)/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 245.23 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11356990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).