(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol

C61H106N2O12Si — CID 160656289

IUPAC(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO.O=C=O
InChIInChI=1S/C39H63NO5Si.C21H43NO5.CO2/c1-13-28(3)35(41)31(6)36(45-37-30(5)34(40(11)12)24-29(4)44-37)39(10,42)25-27(2)26-43-46(38(7,8)9,32-20-16-14-17-21-32)33-22-18-15-19-23-33;1-9-18(24)16(5)19(21(6,25)11-13(2)12-23)27-20-15(4)17(22(7)8)10-14(3)26-20;2-1-3/h13-23,27-31,34-37,41-42H,1,24-26H2,2-12H3;13-20,23-25H,9-12H2,1-8H3;/t27-,28+,29-,30-,31+,34+,35-,36-,37?,39-;13-,14-,15-,16+,17+,18-,19-,20?,21-;/m11./s1
InChIKeyRLBZAPFGLYJYTJ-XDYWERBQSA-N
MW1087.61 g/mol
LogP7.91
Rot. Bonds25

About (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol

(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol (PubChem CID 160656289) has the molecular formula C61H106N2O12Si and a molecular weight of 1087.61 g/mol. Its IUPAC name is (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol.

Molecular Properties

Compound Name(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol
PubChem CID160656289
Molecular FormulaC61H106N2O12Si
Molecular Weight1087.61 g/mol
Exact Mass1086.75
IUPAC Name(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO.O=C=O
InChIInChI=1S/C39H63NO5Si.C21H43NO5.CO2/c1-13-28(3)35(41)31(6)36(45-37-30(5)34(40(11)12)24-29(4)44-37)39(10,42)25-27(2)26-43-46(38(7,8)9,32-20-16-14-17-21-32)33-22-18-15-19-23-33;1-9-18(24)16(5)19(21(6,25)11-13(2)12-23)27-20-15(4)17(22(7)8)10-14(3)26-20;2-1-3/h13-23,27-31,34-37,41-42H,1,24-26H2,2-12H3;13-20,23-25H,9-12H2,1-8H3;/t27-,28+,29-,30-,31+,34+,35-,36-,37?,39-;13-,14-,15-,16+,17+,18-,19-,20?,21-;/m11./s1
InChIKeyRLBZAPFGLYJYTJ-XDYWERBQSA-N
XLogP7.91
TPSA187.92 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.61
LogP ≤ 57.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol?
The IUPAC name of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol (CID 160656289) is (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol.
What is the SMILES notation for (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol?
The canonical SMILES for (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol is C=C[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC[C@@H](O)[C@H](C)[C@@H](OC1O[C@H](C)C[C@H](N(C)C)[C@H]1C)[C@](C)(O)C[C@@H](C)CO.O=C=O.
What is the InChIKey of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol?
The InChIKey is RLBZAPFGLYJYTJ-XDYWERBQSA-N. The full InChI is InChI=1S/C39H63NO5Si.C21H43NO5.CO2/c1-13-28(3)35(41)31(6)36(45-37-30(5)34(40(11)12)24-29(4)44-37)39(10,42)25-27(2)26-43-46(38(7,8)9,32-20-16-14-17-21-32)33-22-18-15-19-23-33;1-9-18(24)16(5)19(21(6,25)11-13(2)12-23)27-20-15(4)17(22(7)8)10-14(3)26-20;2-1-3/h13-23,27-31,34-37,41-42H,1,24-26H2,2-12H3;13-20,23-25H,9-12H2,1-8H3;/t27-,28+,29-,30-,31+,34+,35-,36-,37?,39-;13-,14-,15-,16+,17+,18-,19-,20?,21-;/m11./s1.
What are the key properties of (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol?
(3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol has a molecular weight of 1087.61 g/mol, XLogP of 7.91, 25 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6R,7R,9R)-10-[tert-butyl(diphenyl)silyl]oxy-6-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3,5,7,9-tetramethyldec-1-ene-4,7-diol;carbon dioxide;(2R,4R,5R,6S,7R)-5-[(3R,4S,6R)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-2,4,6-trimethylnonane-1,4,7-triol is sourced from PubChem (CID 160656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).