11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one

C27H50N2O5 — CID 67820307

IUPAC11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one
SMILESCC1CNC(=O)C(C)CC(C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C2(C)CC(C)C(O2)C(C)C1
InChIInChI=1S/C27H50N2O5/c1-15-10-16(2)23-19(5)13-27(7,34-23)24(17(3)11-18(4)25(31)28-14-15)33-26-22(30)21(29(8)9)12-20(6)32-26/h15-24,26,30H,10-14H2,1-9H3,(H,28,31)/t15?,16?,17?,18?,19?,20-,21+,22-,23?,24?,26+,27?/m1/s1
InChIKeyLGVGZJOPESKNEE-KONKHDTDSA-N
MW482.71 g/mol
LogP3.44
Rot. Bonds3

About 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one

11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one (PubChem CID 67820307) has the molecular formula C27H50N2O5 and a molecular weight of 482.71 g/mol. Its IUPAC name is 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one.

Molecular Properties

Compound Name11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one
PubChem CID67820307
Molecular FormulaC27H50N2O5
Molecular Weight482.71 g/mol
Exact Mass482.37
IUPAC Name11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one
SMILESCC1CNC(=O)C(C)CC(C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C2(C)CC(C)C(O2)C(C)C1
InChIInChI=1S/C27H50N2O5/c1-15-10-16(2)23-19(5)13-27(7,34-23)24(17(3)11-18(4)25(31)28-14-15)33-26-22(30)21(29(8)9)12-20(6)32-26/h15-24,26,30H,10-14H2,1-9H3,(H,28,31)/t15?,16?,17?,18?,19?,20-,21+,22-,23?,24?,26+,27?/m1/s1
InChIKeyLGVGZJOPESKNEE-KONKHDTDSA-N
XLogP3.44
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one with MolForge

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Launch Full Analysis

Related Compounds

(1R,2R,10R,13R,14R)-13-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-2,8,10,12,14-pentamethyl-4,8-diazabicyclo[10.2.1]pentadecane-3,7-dione
CID 156561136
(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione
CID 153311374
(2S,3R,6R,7S,8S,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(1-hydroxyethyl)-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one
CID 11700276
(3R,6R,8R,9R,10R,12R)-9-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,6,8,10,12-pentamethyl-1-oxa-4-azacyclotridecane-11,13-dione
CID 167414566
(2S,3R,6R,7S,8S,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one
CID 16661119
(1R,2S,3R,6R,7S,8S,9R,10S,12R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-(4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,6,8,10,12-pentamethyl-3-[(2R,3S)-2-methyl-3-propyloxiran-2-yl]-4,13-dioxabicyclo[8.2.1]tridecan-5-one
CID 158341696
(1R,2S,5R,7S,8R,9S,11R,13S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione
CID 10054300
(3R,6R,8R,9R,10R,12R)-9-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(hydroxymethyl)-8-methoxy-6,8,10,12-tetramethyl-1-oxa-4-azacyclotridecane-11,13-dione
CID 167414537
(2S,3R,6R,7S,8S,9R,10S)-3-acetyl-9-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one;(2S,3R,6R,7S,8S,9R,10S)-9-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(1-hydroxyethyl)-7-[(2R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one
CID 159305629
(3R,4S,5S,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4,13-dihydroxy-3,5,7,9,11,13,14-heptamethyl-1-oxacyclotetradec-11-ene-2,10-dione
CID 59894819
(3R,4S,5S,6S,7S,11E,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4,13-dihydroxy-3,5,7,9,11,13,14-heptamethyl-1-oxacyclotetradec-11-ene-2,10-dione
CID 142023180
(2R,3S,4R,5R,8R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 90836055

Frequently Asked Questions

What is the IUPAC name of 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one?
The IUPAC name of 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one (CID 67820307) is 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one.
What is the SMILES notation for 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one?
The canonical SMILES for 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one is CC1CNC(=O)C(C)CC(C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C2(C)CC(C)C(O2)C(C)C1.
What is the InChIKey of 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one?
The InChIKey is LGVGZJOPESKNEE-KONKHDTDSA-N. The full InChI is InChI=1S/C27H50N2O5/c1-15-10-16(2)23-19(5)13-27(7,34-23)24(17(3)11-18(4)25(31)28-14-15)33-26-22(30)21(29(8)9)12-20(6)32-26/h15-24,26,30H,10-14H2,1-9H3,(H,28,31)/t15?,16?,17?,18?,19?,20-,21+,22-,23?,24?,26+,27?/m1/s1.
What are the key properties of 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one?
11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one has a molecular weight of 482.71 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-15-oxa-6-azabicyclo[10.2.1]pentadecan-7-one is sourced from PubChem (CID 67820307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).