(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

C146H275N7O45 — CID 159041698

IUPAC(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESCC(O)C1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C.CC1OC(O[C@H]2[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)CC(N(C)C)C1O.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(O)[C@H](C)[C@@H](O)[C@H]1C.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@H]1C.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C30H58N2O9.C30H58N2O8.C29H53NO10.C29H55NO9.C28H51NO9/c1-12-22-30(8,38)27(35)19(5)32(11)15-16(2)14-29(7,37)26(34)17(3)25(18(4)28(36)40-22)41-23-13-21(31(9)10)24(33)20(6)39-23;1-12-23-17(3)25(33)20(6)32(11)15-16(2)14-30(8,37)28(35)18(4)27(19(5)29(36)39-23)40-24-13-22(31(9)10)26(34)21(7)38-24;1-13-12-29(8,37)27(35)16(4)25(39-21-11-20(30(9)10)24(34)19(7)38-21)17(5)28(36)40-26(18(6)31)15(3)23(33)14(2)22(13)32;1-11-21-15(3)24(32)16(4)23(31)14(2)13-29(8,36)27(34)17(5)26(18(6)28(35)38-21)39-22-12-20(30(9)10)25(33)19(7)37-22;1-13-12-28(8,35)26(33)16(4)25(38-21-11-20(29(9)10)24(32)19(7)36-21)17(5)27(34)37-18(6)14(2)23(31)15(3)22(13)30/h16-27,33-35,37-38H,12-15H2,1-11H3;16-28,33-35,37H,12-15H2,1-11H3;13-21,23-27,31,33-35,37H,11-12H2,1-10H3;14-27,31-34,36H,11-13H2,1-10H3;13-21,23-26,31-33,35H,11-12H2,1-10H3/t16-,17+,18-,19-,20?,21?,22-,23?,24?,25+,26-,27-,29-,30-;16-,17+,18+,19-,20-,21?,22?,23-,24?,25+,26?,27+,28-,30-;13-,14+,15-,16+,17-,18?,19?,20?,21?,23-,24?,25+,26?,27-,29-;14-,15+,16+,17+,18-,19?,20?,21-,22?,23?,24+,25?,26+,27-,29-;13-,14+,15+,16+,17-,18-,19?,20?,21?,23+,24?,25+,26-,28-/m11111/s1
InChIKeyJWDFKRULKAMQSG-ZXCCRGBBSA-N
MW2848.81 g/mol
LogP6.45
Rot. Bonds19

About (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (PubChem CID 159041698) has the molecular formula C146H275N7O45 and a molecular weight of 2848.81 g/mol. Its IUPAC name is (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

Molecular Properties

Compound Name(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
PubChem CID159041698
Molecular FormulaC146H275N7O45
Molecular Weight2848.81 g/mol
Exact Mass2846.94
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESCC(O)C1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C.CC1OC(O[C@H]2[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)CC(N(C)C)C1O.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(O)[C@H](C)[C@@H](O)[C@H]1C.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@H]1C.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C30H58N2O9.C30H58N2O8.C29H53NO10.C29H55NO9.C28H51NO9/c1-12-22-30(8,38)27(35)19(5)32(11)15-16(2)14-29(7,37)26(34)17(3)25(18(4)28(36)40-22)41-23-13-21(31(9)10)24(33)20(6)39-23;1-12-23-17(3)25(33)20(6)32(11)15-16(2)14-30(8,37)28(35)18(4)27(19(5)29(36)39-23)40-24-13-22(31(9)10)26(34)21(7)38-24;1-13-12-29(8,37)27(35)16(4)25(39-21-11-20(30(9)10)24(34)19(7)38-21)17(5)28(36)40-26(18(6)31)15(3)23(33)14(2)22(13)32;1-11-21-15(3)24(32)16(4)23(31)14(2)13-29(8,36)27(34)17(5)26(18(6)28(35)38-21)39-22-12-20(30(9)10)25(33)19(7)37-22;1-13-12-28(8,35)26(33)16(4)25(38-21-11-20(29(9)10)24(32)19(7)36-21)17(5)27(34)37-18(6)14(2)23(31)15(3)22(13)30/h16-27,33-35,37-38H,12-15H2,1-11H3;16-28,33-35,37H,12-15H2,1-11H3;13-21,23-27,31,33-35,37H,11-12H2,1-10H3;14-27,31-34,36H,11-13H2,1-10H3;13-21,23-26,31-33,35H,11-12H2,1-10H3/t16-,17+,18-,19-,20?,21?,22-,23?,24?,25+,26-,27-,29-,30-;16-,17+,18+,19-,20-,21?,22?,23-,24?,25+,26?,27+,28-,30-;13-,14+,15-,16+,17-,18?,19?,20?,21?,23-,24?,25+,26?,27-,29-;14-,15+,16+,17+,18-,19?,20?,21-,22?,23?,24+,25?,26+,27-,29-;13-,14+,15+,16+,17-,18-,19?,20?,21?,23+,24?,25+,26-,28-/m11111/s1
InChIKeyJWDFKRULKAMQSG-ZXCCRGBBSA-N
XLogP6.45
TPSA745.91 Ų
H-Bond Donors23
H-Bond Acceptors52
Rotatable Bonds19
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002848.81
LogP ≤ 56.45
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1052

Analyze (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The IUPAC name of (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (CID 159041698) is (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
What is the SMILES notation for (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The canonical SMILES for (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is CC(O)C1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C.CC1OC(O[C@H]2[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)CC(N(C)C)C1O.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(O)[C@H](C)[C@@H](O)[C@H]1C.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@H]1C.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(N(C)C)C(O)C(C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.
What is the InChIKey of (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
The InChIKey is JWDFKRULKAMQSG-ZXCCRGBBSA-N. The full InChI is InChI=1S/C30H58N2O9.C30H58N2O8.C29H53NO10.C29H55NO9.C28H51NO9/c1-12-22-30(8,38)27(35)19(5)32(11)15-16(2)14-29(7,37)26(34)17(3)25(18(4)28(36)40-22)41-23-13-21(31(9)10)24(33)20(6)39-23;1-12-23-17(3)25(33)20(6)32(11)15-16(2)14-30(8,37)28(35)18(4)27(19(5)29(36)39-23)40-24-13-22(31(9)10)26(34)21(7)38-24;1-13-12-29(8,37)27(35)16(4)25(39-21-11-20(30(9)10)24(34)19(7)38-21)17(5)28(36)40-26(18(6)31)15(3)23(33)14(2)22(13)32;1-11-21-15(3)24(32)16(4)23(31)14(2)13-29(8,36)27(34)17(5)26(18(6)28(35)38-21)39-22-12-20(30(9)10)25(33)19(7)37-22;1-13-12-28(8,35)26(33)16(4)25(38-21-11-20(29(9)10)24(32)19(7)36-21)17(5)27(34)37-18(6)14(2)23(31)15(3)22(13)30/h16-27,33-35,37-38H,12-15H2,1-11H3;16-28,33-35,37H,12-15H2,1-11H3;13-21,23-27,31,33-35,37H,11-12H2,1-10H3;14-27,31-34,36H,11-13H2,1-10H3;13-21,23-26,31-33,35H,11-12H2,1-10H3/t16-,17+,18-,19-,20?,21?,22-,23?,24?,25+,26-,27-,29-,30-;16-,17+,18+,19-,20-,21?,22?,23-,24?,25+,26?,27+,28-,30-;13-,14+,15-,16+,17-,18?,19?,20?,21?,23-,24?,25+,26?,27-,29-;14-,15+,16+,17+,18-,19?,20?,21-,22?,23?,24+,25?,26+,27-,29-;13-,14+,15+,16+,17-,18-,19?,20?,21?,23+,24?,25+,26-,28-/m11111/s1.
What are the key properties of (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?
(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione has a molecular weight of 2848.81 g/mol, XLogP of 6.45, 19 rotatable bonds, 23 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,11-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11S,12R,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,7,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;(2R,3R,4S,5R,8R,10R,11R,12R,13S,14R)-13-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10,11-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6R,7R,9R,11R,12S,13R)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,7,12-trihydroxy-14-(1-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 159041698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).