(3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one

C18H35NO5 — CID 139311406

IUPAC(3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one
SMILESCO[C@H]1CCCN(C)[C@H](C)[C@@H](O)[C@H](O)COC(=O)[C@H](C)C[C@H](C)C1
InChIInChI=1S/C18H35NO5/c1-12-9-13(2)18(22)24-11-16(20)17(21)14(3)19(4)8-6-7-15(10-12)23-5/h12-17,20-21H,6-11H2,1-5H3/t12-,13+,14+,15-,16+,17+/m0/s1
InChIKeyGCGDVOQFVABRJF-JXMXSTLTSA-N
MW345.48 g/mol
LogP1.43
Rot. Bonds1

About (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one

(3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one (PubChem CID 139311406) has the molecular formula C18H35NO5 and a molecular weight of 345.48 g/mol. Its IUPAC name is (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one.

Molecular Properties

Compound Name(3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one
PubChem CID139311406
Molecular FormulaC18H35NO5
Molecular Weight345.48 g/mol
Exact Mass345.25
IUPAC Name(3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one
SMILESCO[C@H]1CCCN(C)[C@H](C)[C@@H](O)[C@H](O)COC(=O)[C@H](C)C[C@H](C)C1
InChIInChI=1S/C18H35NO5/c1-12-9-13(2)18(22)24-11-16(20)17(21)14(3)19(4)8-6-7-15(10-12)23-5/h12-17,20-21H,6-11H2,1-5H3/t12-,13+,14+,15-,16+,17+/m0/s1
InChIKeyGCGDVOQFVABRJF-JXMXSTLTSA-N
XLogP1.43
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one with MolForge

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Related Compounds

(3R,4R,5R,10S,11R,12S,13S,14R)-3,4,11-trihydroxy-13-[(4S,5R,6S)-5-hydroxy-4,6-dimethyloxan-2-yl]-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one
CID 139311403
cis-(5S,9R,10E)-7,12,13-trihydroxy-10-hydroxyimino-3,5,9,11-tetramethyl-oxacyclotetradecan-2-one
CID 143241191
(2R,3S,4R,5R,12R,14R)-2-ethyl-3,4-dihydroxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one
CID 139311404
(3R,5R)-3,5-dimethyloxan-2-one
CID 12759371
(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one
CID 71206836
(3R)-3,4-dihydroxy-3,5,6,9,13-pentamethyl-1-oxa-6-azacyclotetradecan-14-one;ethane
CID 145467615
[(8R,10S)-3,4-dihydroxy-5,6,8,10,14-pentamethyl-13,15-dioxo-1-oxa-6-azacyclopentadec-10-yl] cyanate;ethane;methylphosphane
CID 143418498
2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 102966101
(3S,4R,5S,6R)-5-ethyl-4,6-dihydroxy-3-methyloxepan-2-one
CID 57128049
3-benzoyl-11-methoxy-7,9,15-trimethyl-17-oxa-3,7-diazaspiro[5.12]octadecane-14,16-dione
CID 174272557
[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate
CID 70248013
cyclohexane-1,3,5-triol;5-methoxycyclohexane-1,3-diol;bis((5R)-3-methoxy-5-methylcyclohexan-1-ol);trans-(3R,5R)-1-methoxy-3,5-dimethylcyclohexane
CID 158489403

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one?
The IUPAC name of (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one (CID 139311406) is (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one.
What is the SMILES notation for (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one?
The canonical SMILES for (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one is CO[C@H]1CCCN(C)[C@H](C)[C@@H](O)[C@H](O)COC(=O)[C@H](C)C[C@H](C)C1.
What is the InChIKey of (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one?
The InChIKey is GCGDVOQFVABRJF-JXMXSTLTSA-N. The full InChI is InChI=1S/C18H35NO5/c1-12-9-13(2)18(22)24-11-16(20)17(21)14(3)19(4)8-6-7-15(10-12)23-5/h12-17,20-21H,6-11H2,1-5H3/t12-,13+,14+,15-,16+,17+/m0/s1.
What are the key properties of (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one?
(3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one has a molecular weight of 345.48 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,10S,12S,14R)-3,4-dihydroxy-10-methoxy-5,6,12,14-tetramethyl-1-oxa-6-azacyclopentadecan-15-one is sourced from PubChem (CID 139311406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).