(7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione

C36H63NO12 — CID 71024155

About (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione

(7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione (PubChem CID 71024155) has the molecular formula C36H63NO12 and a molecular weight of 701.89 g/mol. Its IUPAC name is (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione.

Molecular Properties

• Compound Name: (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione
• PubChem CID: 71024155
• Molecular Formula: C36H63NO12
• Molecular Weight: 701.89 g/mol
• Exact Mass: 701.44
• IUPAC Name: (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione
• SMILES: CO[C@]1(C)C[C@H](OC2C(C)C(=O)OC3C(C)[C@]3(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC(C)[C@H](OC3OC(C)CC(N(C)C)[C@H]3O)C2C)OC(C)[C@@H]1O
• InChI: InChI=1S/C36H63NO12/c1-16-13-17(2)28(48-34-27(39)24(37(10)11)14-18(3)45-34)20(5)29(47-25-15-35(9,44-12)31(41)23(8)46-25)21(6)33(42)49-32-22(7)36(32,43)30(40)19(4)26(16)38/h16-25,27-32,34,39-41,43H,13-15H2,1-12H3/t16-,17?,18?,19+,20?,21?,22?,23?,24?,25+,27-,28+,29?,30-,31+,32?,34?,35-,36+/m1/s1
• InChIKey: XTYGLINZXXUYHU-FPHZTASSSA-N
• XLogP: 1.89
• TPSA: 173.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.89
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione?

The IUPAC name of (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione (CID 71024155) is (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione.

What is the SMILES notation for (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione?

The canonical SMILES for (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione is CO[C@]1(C)C[C@H](OC2C(C)C(=O)OC3C(C)[C@]3(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC(C)[C@H](OC3OC(C)CC(N(C)C)[C@H]3O)C2C)OC(C)[C@@H]1O.

What is the InChIKey of (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione?

The InChIKey is XTYGLINZXXUYHU-FPHZTASSSA-N. The full InChI is InChI=1S/C36H63NO12/c1-16-13-17(2)28(48-34-27(39)24(37(10)11)14-18(3)45-34)20(5)29(47-25-15-35(9,44-12)31(41)23(8)46-25)21(6)33(42)49-32-22(7)36(32,43)30(40)19(4)26(16)38/h16-25,27-32,34,39-41,43H,13-15H2,1-12H3/t16-,17?,18?,19+,20?,21?,22?,23?,24?,25+,27-,28+,29?,30-,31+,32?,34?,35-,36+/m1/s1.

What are the key properties of (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione?

(7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione has a molecular weight of 701.89 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,10R,12R,13R,14S)-7-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13,14-dihydroxy-5-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4,6,8,10,12,15-hexamethyl-2-oxabicyclo[12.1.0]pentadecane-3,11-dione is sourced from PubChem (CID 71024155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).