(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione

C20H35NO5 — CID 88907297

IUPAC(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
SMILESC[C@H]1CCC[C@@]2(C)O[C@H]2CCNC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C20H35NO5/c1-12-7-6-9-20(5)15(26-20)8-10-21-16(23)11-14(22)19(3,4)18(25)13(2)17(12)24/h12-15,17,22,24H,6-11H2,1-5H3,(H,21,23)/t12-,13+,14-,15-,17-,20+/m0/s1
InChIKeyCUXZYTUZGGIPPP-KJMAVMMSSA-N
MW369.50 g/mol
LogP1.81
Rot. Bonds

About (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione

(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione (PubChem CID 88907297) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione.

Molecular Properties

Compound Name(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
PubChem CID88907297
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Name(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
SMILESC[C@H]1CCC[C@@]2(C)O[C@H]2CCNC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C20H35NO5/c1-12-7-6-9-20(5)15(26-20)8-10-21-16(23)11-14(22)19(3,4)18(25)13(2)17(12)24/h12-15,17,22,24H,6-11H2,1-5H3,(H,21,23)/t12-,13+,14-,15-,17-,20+/m0/s1
InChIKeyCUXZYTUZGGIPPP-KJMAVMMSSA-N
XLogP1.81
TPSA99.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione?
The IUPAC name of (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione (CID 88907297) is (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione.
What is the SMILES notation for (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione?
The canonical SMILES for (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione is C[C@H]1CCC[C@@]2(C)O[C@H]2CCNC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O.
What is the InChIKey of (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione?
The InChIKey is CUXZYTUZGGIPPP-KJMAVMMSSA-N. The full InChI is InChI=1S/C20H35NO5/c1-12-7-6-9-20(5)15(26-20)8-10-21-16(23)11-14(22)19(3,4)18(25)13(2)17(12)24/h12-15,17,22,24H,6-11H2,1-5H3,(H,21,23)/t12-,13+,14-,15-,17-,20+/m0/s1.
What are the key properties of (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione?
(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione has a molecular weight of 369.50 g/mol, XLogP of 1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione is sourced from PubChem (CID 88907297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).