(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide

C57H105NO9 — CID 90664228

IUPAC(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide
SMILESCCCCCCCCCC[C@H]1C[C@H]1CCCC/C=C\CC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1OCC=C(C)C)[C@H](O)CCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC
InChIInChI=1S/C57H105NO9/c1-5-7-9-11-13-15-20-26-32-45-40-47(45)34-28-22-17-18-24-31-37-51(61)56(64)58-49(43-66-57-55(65-39-38-44(3)4)54(63)53(62)52(42-59)67-57)50(60)36-30-25-19-23-29-35-48-41-46(48)33-27-21-16-14-12-10-8-6-2/h18,24,38,45-55,57,59-63H,5-17,19-23,25-37,39-43H2,1-4H3,(H,58,64)/b24-18-/t45-,46-,47+,48+,49-,50+,51+,52-,53+,54-,55-,57+/m0/s1
InChIKeyYYLGLAVLOKSOMN-FDBVEHOYSA-N
MW948.46 g/mol
LogP11.96
Rot. Bonds44

About (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide

(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide (PubChem CID 90664228) has the molecular formula C57H105NO9 and a molecular weight of 948.46 g/mol. Its IUPAC name is (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide.

Molecular Properties

Compound Name(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide
PubChem CID90664228
Molecular FormulaC57H105NO9
Molecular Weight948.46 g/mol
Exact Mass947.78
IUPAC Name(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide
SMILESCCCCCCCCCC[C@H]1C[C@H]1CCCC/C=C\CC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1OCC=C(C)C)[C@H](O)CCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC
InChIInChI=1S/C57H105NO9/c1-5-7-9-11-13-15-20-26-32-45-40-47(45)34-28-22-17-18-24-31-37-51(61)56(64)58-49(43-66-57-55(65-39-38-44(3)4)54(63)53(62)52(42-59)67-57)50(60)36-30-25-19-23-29-35-48-41-46(48)33-27-21-16-14-12-10-8-6-2/h18,24,38,45-55,57,59-63H,5-17,19-23,25-37,39-43H2,1-4H3,(H,58,64)/b24-18-/t45-,46-,47+,48+,49-,50+,51+,52-,53+,54-,55-,57+/m0/s1
InChIKeyYYLGLAVLOKSOMN-FDBVEHOYSA-N
XLogP11.96
TPSA157.94 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds44
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.46
LogP ≤ 511.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide with MolForge

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

Launch Full Analysis

Related Compounds

(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide
CID 10796054
(2R)-2-hydroxy-N-[(2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-9-en-2-yl]hexadecanamide
CID 162861578
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-9-en-2-yl]hexadecanamide
CID 162861577
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-9,12-dien-2-yl]tetracosanamide
CID 162927584
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricosan-2-yl]-2-hydroxyhexatriacont-21-enamide
CID 138158926
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecan-2-yl]-2-hydroxytetracont-21-enamide
CID 138289528
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosan-2-yl]-2-hydroxyhexatriacont-21-enamide
CID 138306924
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricosan-2-yl]-2-hydroxyhexadec-7-enamide
CID 138187783
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacosan-2-yl]-2-hydroxynonacos-14-enamide
CID 138147016
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]-2-hydroxypentatriacont-20-enamide
CID 138228890
(Z)-N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecan-2-yl]-2-hydroxyhexacos-11-enamide
CID 138247341
N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocos-13-en-2-yl]-2-hydroxypentadecanamide
CID 74000154

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide?
The IUPAC name of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide (CID 90664228) is (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide.
What is the SMILES notation for (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide?
The canonical SMILES for (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide is CCCCCCCCCC[C@H]1C[C@H]1CCCC/C=C\CC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1OCC=C(C)C)[C@H](O)CCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC.
What is the InChIKey of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide?
The InChIKey is YYLGLAVLOKSOMN-FDBVEHOYSA-N. The full InChI is InChI=1S/C57H105NO9/c1-5-7-9-11-13-15-20-26-32-45-40-47(45)34-28-22-17-18-24-31-37-51(61)56(64)58-49(43-66-57-55(65-39-38-44(3)4)54(63)53(62)52(42-59)67-57)50(60)36-30-25-19-23-29-35-48-41-46(48)33-27-21-16-14-12-10-8-6-2/h18,24,38,45-55,57,59-63H,5-17,19-23,25-37,39-43H2,1-4H3,(H,58,64)/b24-18-/t45-,46-,47+,48+,49-,50+,51+,52-,53+,54-,55-,57+/m0/s1.
What are the key properties of (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide?
(Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide has a molecular weight of 948.46 g/mol, XLogP of 11.96, 44 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-10-[(1R,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(1R,2S)-2-decylcyclopropyl]-1-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamide is sourced from PubChem (CID 90664228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).