(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol

C37H78N3O9+ — CID 142085337

IUPAC(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol
SMILESCC1CC([NH+](C)C)CC(O)O1.CC1CCOC(C)C1.CCC1OC(=O)C(C)C(O)C(C)C[C@@](C)(OC)CC(C)C(=O)CCC1N.CN.CO
InChIInChI=1S/C20H37NO5.C8H17NO2.C7H14O.CH5N.CH4O/c1-7-17-15(21)8-9-16(22)12(2)10-20(5,25-6)11-13(3)18(23)14(4)19(24)26-17;1-6-4-7(9(2)3)5-8(10)11-6;1-6-3-4-8-7(2)5-6;2*1-2/h12-15,17-18,23H,7-11,21H2,1-6H3;6-8,10H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;2H2,1H3;2H,1H3/p+1/t12?,13?,14?,15?,17?,18?,20-;;;;/m0..../s1
InChIKeyAVURHUYRSPXZIC-FVTORTFESA-O
MW709.04 g/mol
LogP2.47
Rot. Bonds3

About (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol

(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol (PubChem CID 142085337) has the molecular formula C37H78N3O9+ and a molecular weight of 709.04 g/mol. Its IUPAC name is (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol.

Molecular Properties

Compound Name(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol
PubChem CID142085337
Molecular FormulaC37H78N3O9+
Molecular Weight709.04 g/mol
Exact Mass708.57
IUPAC Name(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol
SMILESCC1CC([NH+](C)C)CC(O)O1.CC1CCOC(C)C1.CCC1OC(=O)C(C)C(O)C(C)C[C@@](C)(OC)CC(C)C(=O)CCC1N.CN.CO
InChIInChI=1S/C20H37NO5.C8H17NO2.C7H14O.CH5N.CH4O/c1-7-17-15(21)8-9-16(22)12(2)10-20(5,25-6)11-13(3)18(23)14(4)19(24)26-17;1-6-4-7(9(2)3)5-8(10)11-6;1-6-3-4-8-7(2)5-6;2*1-2/h12-15,17-18,23H,7-11,21H2,1-6H3;6-8,10H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;2H2,1H3;2H,1H3/p+1/t12?,13?,14?,15?,17?,18?,20-;;;;/m0..../s1
InChIKeyAVURHUYRSPXZIC-FVTORTFESA-O
XLogP2.47
TPSA188.23 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.04
LogP ≤ 52.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol with MolForge

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Related Compounds

4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane
CID 142034706
(3S,9R,10S,11R,12R)-12-ethyl-4,10-dihydroxy-3,5,9,11-tetramethyl-oxacyclododecane-2,8-dione
CID 59895546
(3R,4S,5R,7S,11S,12R,13R,14R)-14-ethyl-4,10,12-trihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecan-2-one
CID 59895535
(3R,5R,6S,7S,11R,13R,14R)-14-ethyl-6-hydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
CID 59895520
[(2R,3S,5R,9S,11R)-2-ethyl-3,5,9,11,13-pentamethyl-6,12,14-trioxo-oxacyclotetradec-3-yl] carbamate
CID 142031596
(3R,5S,7R,11R)-4-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-ethyl-3,5,7,11-tetramethyl-oxacyclododecane-2,8-dione
CID 177411529
(2R,3R,7R,9S,11S)-2-ethyl-3,4-dihydroxy-9-methoxy-3,7,9,11,13-pentamethyl-6-methylidene-1-oxa-5-azacyclotetradecan-14-one
CID 143277701
(4S,5R,7R,9R,13S,14R)-14-ethyl-12,13-dihydroxy-4,7-dimethoxy-3,5,7,9,11,13-hexamethyl-10-propylimino-oxacyclotetradecan-2-one
CID 145467945
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium
CID 56927747
(2R,3S,4R,5R,8R,10S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 71206851
2,4-dimethyloxane;methane;methanol
CID 145467505
(3R,4S,5S,6S,7S,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
CID 59986234

Frequently Asked Questions

What is the IUPAC name of (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol?
The IUPAC name of (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol (CID 142085337) is (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol.
What is the SMILES notation for (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol?
The canonical SMILES for (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol is CC1CC([NH+](C)C)CC(O)O1.CC1CCOC(C)C1.CCC1OC(=O)C(C)C(O)C(C)C[C@@](C)(OC)CC(C)C(=O)CCC1N.CN.CO.
What is the InChIKey of (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol?
The InChIKey is AVURHUYRSPXZIC-FVTORTFESA-O. The full InChI is InChI=1S/C20H37NO5.C8H17NO2.C7H14O.CH5N.CH4O/c1-7-17-15(21)8-9-16(22)12(2)10-20(5,25-6)11-13(3)18(23)14(4)19(24)26-17;1-6-4-7(9(2)3)5-8(10)11-6;1-6-3-4-8-7(2)5-6;2*1-2/h12-15,17-18,23H,7-11,21H2,1-6H3;6-8,10H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;2H2,1H3;2H,1H3/p+1/t12?,13?,14?,15?,17?,18?,20-;;;;/m0..../s1.
What are the key properties of (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol?
(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol has a molecular weight of 709.04 g/mol, XLogP of 2.47, 3 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol is sourced from PubChem (CID 142085337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).