(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C26H39ClO10 — CID 148507616

IUPAC(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](C#CC2CCCCC(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC(Cl)CC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H39ClO10/c27-16-8-5-14(6-9-17-21(30)25(34)23(32)19(12-28)36-17)3-1-2-4-15(11-16)7-10-18-22(31)26(35)24(33)20(13-29)37-18/h14-26,28-35H,1-5,8,11-13H2/t14?,15?,16?,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1
InChIKeyMLWJSLGGTKWDTB-GMYQDZDDSA-N
MW547.04 g/mol
LogP-1.74
Rot. Bonds2

About (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 148507616) has the molecular formula C26H39ClO10 and a molecular weight of 547.04 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID148507616
Molecular FormulaC26H39ClO10
Molecular Weight547.04 g/mol
Exact Mass546.22
IUPAC Name(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](C#CC2CCCCC(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC(Cl)CC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H39ClO10/c27-16-8-5-14(6-9-17-21(30)25(34)23(32)19(12-28)36-17)3-1-2-4-15(11-16)7-10-18-22(31)26(35)24(33)20(13-29)37-18/h14-26,28-35H,1-5,8,11-13H2/t14?,15?,16?,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1
InChIKeyMLWJSLGGTKWDTB-GMYQDZDDSA-N
XLogP-1.74
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.04
LogP ≤ 5-1.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-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 (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 148507616) is (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](C#CC2CCCCC(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC(Cl)CC2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MLWJSLGGTKWDTB-GMYQDZDDSA-N. The full InChI is InChI=1S/C26H39ClO10/c27-16-8-5-14(6-9-17-21(30)25(34)23(32)19(12-28)36-17)3-1-2-4-15(11-16)7-10-18-22(31)26(35)24(33)20(13-29)37-18/h14-26,28-35H,1-5,8,11-13H2/t14?,15?,16?,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 547.04 g/mol, XLogP of -1.74, 2 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 148507616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).