(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione

C16H25NO6 — CID 134714998

IUPAC(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
SMILESC[C@H]1C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
InChIInChI=1S/C16H25NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h9-12,20-21H,4-8H2,1-3H3/t9-,10-,11+,12+,15+,16-/m0/s1
InChIKeyIDBGJRAMJYRSKU-SRRKXDBNSA-N
MW327.38 g/mol
LogP-0.31
Rot. Bonds

About (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione

(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione (PubChem CID 134714998) has the molecular formula C16H25NO6 and a molecular weight of 327.38 g/mol. Its IUPAC name is (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione.

Molecular Properties

Compound Name(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
PubChem CID134714998
Molecular FormulaC16H25NO6
Molecular Weight327.38 g/mol
Exact Mass327.17
IUPAC Name(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
SMILESC[C@H]1C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
InChIInChI=1S/C16H25NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h9-12,20-21H,4-8H2,1-3H3/t9-,10-,11+,12+,15+,16-/m0/s1
InChIKeyIDBGJRAMJYRSKU-SRRKXDBNSA-N
XLogP-0.31
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione?
The IUPAC name of (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione (CID 134714998) is (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione.
What is the SMILES notation for (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione?
The canonical SMILES for (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione is C[C@H]1C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23.
What is the InChIKey of (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione?
The InChIKey is IDBGJRAMJYRSKU-SRRKXDBNSA-N. The full InChI is InChI=1S/C16H25NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h9-12,20-21H,4-8H2,1-3H3/t9-,10-,11+,12+,15+,16-/m0/s1.
What are the key properties of (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione?
(1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione has a molecular weight of 327.38 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R,10R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione is sourced from PubChem (CID 134714998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).