(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

C12H15NO4 — CID 25314319

IUPAC(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESN[C@H]1[C@H](O)[C@@H](Oc2ccccc2)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C12H15NO4/c13-9-8-6-15-12(17-8)11(10(9)14)16-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyLPOAIOPMJCBHIA-RMPHRYRLSA-N
MW237.26 g/mol
LogP-0.12
Rot. Bonds2

About (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 25314319) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID25314319
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESN[C@H]1[C@H](O)[C@@H](Oc2ccccc2)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C12H15NO4/c13-9-8-6-15-12(17-8)11(10(9)14)16-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyLPOAIOPMJCBHIA-RMPHRYRLSA-N
XLogP-0.12
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R,2R,3S,4R,5R)-2-(benzylamino)-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 163148833
4-phenoxy-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74577184
2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419572
4-phenoxy-2-(quinolin-3-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419409
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 4867520
(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 67699212
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851211
(4aR,6S,7R,8R,8aS)-7-amino-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11992234
(2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) benzoate
CID 569399
(1R,2R,3S,4R,5R)-4-chloro-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10880183

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 25314319) is (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is N[C@H]1[C@H](O)[C@@H](Oc2ccccc2)[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is LPOAIOPMJCBHIA-RMPHRYRLSA-N. The full InChI is InChI=1S/C12H15NO4/c13-9-8-6-15-12(17-8)11(10(9)14)16-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 25314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).