(6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one

C19H25NO7 — CID 53235649

IUPAC(6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)[C@H]3CCNC(=O)O3)[C@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C19H25NO7/c1-19(2)26-16-15(23-10-11-6-4-3-5-7-11)14(25-17(16)27-19)13(21)12-8-9-20-18(22)24-12/h3-7,12-17,21H,8-10H2,1-2H3,(H,20,22)/t12-,13-,14-,15+,16-,17-/m1/s1
InChIKeyAXCMNVRMVBZVBI-NWHWRWDZSA-N
MW379.41 g/mol
LogP1.31
Rot. Bonds5

About (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one

(6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one (PubChem CID 53235649) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one
PubChem CID53235649
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name(6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)[C@H]3CCNC(=O)O3)[C@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C19H25NO7/c1-19(2)26-16-15(23-10-11-6-4-3-5-7-11)14(25-17(16)27-19)13(21)12-8-9-20-18(22)24-12/h3-7,12-17,21H,8-10H2,1-2H3,(H,20,22)/t12-,13-,14-,15+,16-,17-/m1/s1
InChIKeyAXCMNVRMVBZVBI-NWHWRWDZSA-N
XLogP1.31
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(3R)-3-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,3-dihydroxy-1-trimethylsilylpropan-1-one
CID 101084288
methyl 2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyacetate
CID 13292453
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 101047701
2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyacetonitrile
CID 75032875
(2S)-2-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyacetonitrile
CID 143348073
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-nitroethanol
CID 11602517
(1R)-1-[(3aS,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-yn-1-ol
CID 11109943
(1R)-1-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[dimethyl(phenyl)silyl]ethanol
CID 164671259
1-[(3aR,5R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2,2-tris(phenylsulfanyl)ethanol
CID 91079536
(3aR,5R,6aS)-5-cyclopropyl-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 162493069
(2R,4S,5R,6R)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 102122548

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one (CID 53235649) is (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one is CC1(C)O[C@H]2O[C@H]([C@H](O)[C@H]3CCNC(=O)O3)[C@H](OCc3ccccc3)[C@H]2O1.
What is the InChIKey of (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one?
The InChIKey is AXCMNVRMVBZVBI-NWHWRWDZSA-N. The full InChI is InChI=1S/C19H25NO7/c1-19(2)26-16-15(23-10-11-6-4-3-5-7-11)14(25-17(16)27-19)13(21)12-8-9-20-18(22)24-12/h3-7,12-17,21H,8-10H2,1-2H3,(H,20,22)/t12-,13-,14-,15+,16-,17-/m1/s1.
What are the key properties of (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one?
(6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one has a molecular weight of 379.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(R)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 53235649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).