(2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol

C120H236O7 — CID 162810159

IUPAC(2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)O[C@H]([C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H]([C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H]([C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)O2)CC[C@H]1O
InChIInChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,122)110-81-82-111(123-110)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-83-84-113(124-112)119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)127-120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)114-80-79-109(121)116(26,125-114)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98+,99+,100+,101+,102+,103-,104+,105+,106+,107+,108+,109+,110-,111+,112-,113+,114-,115-,116-,117-,118-,119-,120-/m0/s1
InChIKeyPDUDNBSNMIILAE-KWWCHEQXSA-N
MW1791.20 g/mol
LogP37.83
Rot. Bonds81

About (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol

(2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol (PubChem CID 162810159) has the molecular formula C120H236O7 and a molecular weight of 1791.20 g/mol. Its IUPAC name is (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol
PubChem CID162810159
Molecular FormulaC120H236O7
Molecular Weight1791.20 g/mol
Exact Mass1789.81
IUPAC Name(2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)O[C@H]([C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H]([C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H]([C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)O2)CC[C@H]1O
InChIInChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,122)110-81-82-111(123-110)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-83-84-113(124-112)119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)127-120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)114-80-79-109(121)116(26,125-114)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98+,99+,100+,101+,102+,103-,104+,105+,106+,107+,108+,109+,110-,111+,112-,113+,114-,115-,116-,117-,118-,119-,120-/m0/s1
InChIKeyPDUDNBSNMIILAE-KWWCHEQXSA-N
XLogP37.83
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds81
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001791.20
LogP ≤ 537.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol 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 (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol?
The IUPAC name of (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol (CID 162810159) is (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol.
What is the SMILES notation for (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol?
The canonical SMILES for (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)O[C@H]([C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H]([C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H]([C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)O2)CC[C@H]1O.
What is the InChIKey of (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol?
The InChIKey is PDUDNBSNMIILAE-KWWCHEQXSA-N. The full InChI is InChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,122)110-81-82-111(123-110)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-83-84-113(124-112)119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)127-120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)114-80-79-109(121)116(26,125-114)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98+,99+,100+,101+,102+,103-,104+,105+,106+,107+,108+,109+,110-,111+,112-,113+,114-,115-,116-,117-,118-,119-,120-/m0/s1.
What are the key properties of (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol?
(2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol has a molecular weight of 1791.20 g/mol, XLogP of 37.83, 81 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5S)-5-[(2S,6S,10S)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol is sourced from PubChem (CID 162810159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).