(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one

C17H23NO5 — CID 11493503

IUPAC(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
SMILESCC(C)[C@@H]1O[C@H](c2ccccc2)OC[C@@]12NC(=O)[C@](C)(O)[C@@H]2O
InChIInChI=1S/C17H23NO5/c1-10(2)12-17(14(19)16(3,21)15(20)18-17)9-22-13(23-12)11-7-5-4-6-8-11/h4-8,10,12-14,19,21H,9H2,1-3H3,(H,18,20)/t12-,13+,14-,16+,17+/m0/s1
InChIKeyTWENFCWZOSQCQO-IUKJFTNHSA-N
MW321.37 g/mol
LogP0.74
Rot. Bonds2

About (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one

(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one (PubChem CID 11493503) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
PubChem CID11493503
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
SMILESCC(C)[C@@H]1O[C@H](c2ccccc2)OC[C@@]12NC(=O)[C@](C)(O)[C@@H]2O
InChIInChI=1S/C17H23NO5/c1-10(2)12-17(14(19)16(3,21)15(20)18-17)9-22-13(23-12)11-7-5-4-6-8-11/h4-8,10,12-14,19,21H,9H2,1-3H3,(H,18,20)/t12-,13+,14-,16+,17+/m0/s1
InChIKeyTWENFCWZOSQCQO-IUKJFTNHSA-N
XLogP0.74
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
The IUPAC name of (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one (CID 11493503) is (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one is CC(C)[C@@H]1O[C@H](c2ccccc2)OC[C@@]12NC(=O)[C@](C)(O)[C@@H]2O.
What is the InChIKey of (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
The InChIKey is TWENFCWZOSQCQO-IUKJFTNHSA-N. The full InChI is InChI=1S/C17H23NO5/c1-10(2)12-17(14(19)16(3,21)15(20)18-17)9-22-13(23-12)11-7-5-4-6-8-11/h4-8,10,12-14,19,21H,9H2,1-3H3,(H,18,20)/t12-,13+,14-,16+,17+/m0/s1.
What are the key properties of (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one has a molecular weight of 321.37 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 11493503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).