(5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one

C75H144O15Si5 — CID 11788202

IUPAC(5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
SMILESCC[Si](CC)(CC)O[C@@H](COC)C[C@H]1O[C@@](OC)([C@H](O)[C@@H]2C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)CC/C=C(C)/C=C/[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C(\C)C=C(C)C(=O)O2)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C75H144O15Si5/c1-36-95(37-2,38-3)86-58(49-78-24)47-61-55(9)64(88-92(30,31)72(15,16)17)56(10)75(81-27,85-61)68(76)63-48-62(79-25)60(87-91(28,29)71(12,13)14)41-39-40-50(4)42-43-59(53(7)45-51(5)44-52(6)46-54(8)69(77)83-63)84-70-67(90-94(34,35)74(21,22)23)66(65(80-26)57(11)82-70)89-93(32,33)73(18,19)20/h40,42-46,53,55-68,70,76H,36-39,41,47-49H2,1-35H3/b43-42+,50-40+,51-45+,52-44+,54-46?/t53-,55+,56-,57+,58-,59-,60+,61-,62+,63+,64+,65+,66-,67+,68-,70+,75-/m1/s1
InChIKeyQPHJPMILRCZWSP-IICQGOBRSA-N
MW1426.39 g/mol
LogP18.58
Rot. Bonds24

About (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one

(5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one (PubChem CID 11788202) has the molecular formula C75H144O15Si5 and a molecular weight of 1426.39 g/mol. Its IUPAC name is (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one.

Molecular Properties

Compound Name(5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
PubChem CID11788202
Molecular FormulaC75H144O15Si5
Molecular Weight1426.39 g/mol
Exact Mass1424.94
IUPAC Name(5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
SMILESCC[Si](CC)(CC)O[C@@H](COC)C[C@H]1O[C@@](OC)([C@H](O)[C@@H]2C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)CC/C=C(C)/C=C/[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C(\C)C=C(C)C(=O)O2)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C75H144O15Si5/c1-36-95(37-2,38-3)86-58(49-78-24)47-61-55(9)64(88-92(30,31)72(15,16)17)56(10)75(81-27,85-61)68(76)63-48-62(79-25)60(87-91(28,29)71(12,13)14)41-39-40-50(4)42-43-59(53(7)45-51(5)44-52(6)46-54(8)69(77)83-63)84-70-67(90-94(34,35)74(21,22)23)66(65(80-26)57(11)82-70)89-93(32,33)73(18,19)20/h40,42-46,53,55-68,70,76H,36-39,41,47-49H2,1-35H3/b43-42+,50-40+,51-45+,52-44+,54-46?/t53-,55+,56-,57+,58-,59-,60+,61-,62+,63+,64+,65+,66-,67+,68-,70+,75-/m1/s1
InChIKeyQPHJPMILRCZWSP-IICQGOBRSA-N
XLogP18.58
TPSA157.29 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.39
LogP ≤ 518.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one 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 (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one?
The IUPAC name of (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one (CID 11788202) is (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one.
What is the SMILES notation for (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one?
The canonical SMILES for (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one is CC[Si](CC)(CC)O[C@@H](COC)C[C@H]1O[C@@](OC)([C@H](O)[C@@H]2C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)CC/C=C(C)/C=C/[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C(\C)C=C(C)C(=O)O2)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one?
The InChIKey is QPHJPMILRCZWSP-IICQGOBRSA-N. The full InChI is InChI=1S/C75H144O15Si5/c1-36-95(37-2,38-3)86-58(49-78-24)47-61-55(9)64(88-92(30,31)72(15,16)17)56(10)75(81-27,85-61)68(76)63-48-62(79-25)60(87-91(28,29)71(12,13)14)41-39-40-50(4)42-43-59(53(7)45-51(5)44-52(6)46-54(8)69(77)83-63)84-70-67(90-94(34,35)74(21,22)23)66(65(80-26)57(11)82-70)89-93(32,33)73(18,19)20/h40,42-46,53,55-68,70,76H,36-39,41,47-49H2,1-35H3/b43-42+,50-40+,51-45+,52-44+,54-46?/t53-,55+,56-,57+,58-,59-,60+,61-,62+,63+,64+,65+,66-,67+,68-,70+,75-/m1/s1.
What are the key properties of (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one?
(5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one has a molecular weight of 1426.39 g/mol, XLogP of 18.58, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9R,10R,11E,13E,17S,18S,20S)-10-[(2R,3S,4R,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyloxan-2-yl]oxy-17-[tert-butyl(dimethyl)silyl]oxy-20-[(R)-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-triethylsilyloxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one is sourced from PubChem (CID 11788202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).