(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

C26H47N3O6 — CID 156561136

IUPAC(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
SMILESC[C@H]1CN(C)C(=O)CCNC(=O)[C@H](C)[C@@]2(O)CC(C)(C1)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C
InChIInChI=1S/C26H47N3O6/c1-15-12-25(5)14-26(33,18(4)23(32)27-10-9-20(30)29(8)13-15)17(3)22(25)35-24-21(31)19(28(6)7)11-16(2)34-24/h15-19,21-22,24,31,33H,9-14H2,1-8H3,(H,27,32)/t15-,16-,17-,18+,19+,21-,22-,24+,25?,26-/m1/s1
InChIKeyRTBKRDPMPVDYAB-GEWGJTJESA-N
MW497.68 g/mol
LogP1.22
Rot. Bonds3

About (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

(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 (PubChem CID 156561136) has the molecular formula C26H47N3O6 and a molecular weight of 497.68 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID156561136
Molecular FormulaC26H47N3O6
Molecular Weight497.68 g/mol
Exact Mass497.35
IUPAC Name(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
SMILESC[C@H]1CN(C)C(=O)CCNC(=O)[C@H](C)[C@@]2(O)CC(C)(C1)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C
InChIInChI=1S/C26H47N3O6/c1-15-12-25(5)14-26(33,18(4)23(32)27-10-9-20(30)29(8)13-15)17(3)22(25)35-24-21(31)19(28(6)7)11-16(2)34-24/h15-19,21-22,24,31,33H,9-14H2,1-8H3,(H,27,32)/t15-,16-,17-,18+,19+,21-,22-,24+,25?,26-/m1/s1
InChIKeyRTBKRDPMPVDYAB-GEWGJTJESA-N
XLogP1.22
TPSA111.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 156560850
(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
(7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 153311417
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
N-[4-[(2S,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9,12-dihydroxy-5,7,9,11,13-pentamethyl-4,14-dioxo-1,5-diazacyclotetradec-2-yl]butyl]prop-2-enamide
CID 156561022
(4R,7R,8S,9S,10R,11R,13R)-4-[(3-chlorophenyl)methyl]-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,11-dihydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 153311325
(4R,7R,8S,9S,10R,11R,13R)-4-[(4-bromophenyl)methyl]-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 153311364
(3R,4S,5S,6R,7R,9R,13S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11-pentamethyl-13-propan-2-yl-1,11,14-triazabicyclo[14.3.0]nonadecane-2,12,15-trione
CID 153311406
11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 175690854
(3S,4S,5S,8R,10S,11R,13S)-11-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 117065597
[(6R,7S,8S,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-1,6,8,10-tetramethyl-5-oxo-1,4-diazacyclotridec-7-yl] oxane-4-carboxylate
CID 156561172
(1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,18,20-heptamethyl-4,11,16-trioxa-18-azabicyclo[8.6.5]henicos-13-ene-5,7-dione
CID 23327609

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1CN(C)C(=O)CCNC(=O)[C@H](C)[C@@]2(O)CC(C)(C1)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C.
What is the InChIKey of (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?
The InChIKey is RTBKRDPMPVDYAB-GEWGJTJESA-N. The full InChI is InChI=1S/C26H47N3O6/c1-15-12-25(5)14-26(33,18(4)23(32)27-10-9-20(30)29(8)13-15)17(3)22(25)35-24-21(31)19(28(6)7)11-16(2)34-24/h15-19,21-22,24,31,33H,9-14H2,1-8H3,(H,27,32)/t15-,16-,17-,18+,19+,21-,22-,24+,25?,26-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 497.68 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 156561136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).