(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol

C24H42O20 — CID 139212358

IUPAC(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@H](O)C(OC2[C@@H](O)[C@H](O)C(OC3[C@@H](O)[C@H](O)C(OC4[C@@H](O)[C@H](O)C[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H42O20/c25-2-1-3(26)5(28)19(4(2)27)42-21-11(34)13(36)23(14(37)12(21)35)44-24-17(40)15(38)22(16(39)18(24)41)43-20-9(32)7(30)6(29)8(31)10(20)33/h2-41H,1H2/t2-,3+,4+,5-,6?,7-,8+,9+,10-,11-,12+,13-,14+,15-,16+,17-,18+,19?,20?,21?,22?,23?,24?
InChIKeySPUJXFXNKFABHD-WVUNPIQDSA-N
MW650.58 g/mol
LogP-11.17
Rot. Bonds6

About (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol

(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol (PubChem CID 139212358) has the molecular formula C24H42O20 and a molecular weight of 650.58 g/mol. Its IUPAC name is (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol
PubChem CID139212358
Molecular FormulaC24H42O20
Molecular Weight650.58 g/mol
Exact Mass650.23
IUPAC Name(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol
SMILESOC1[C@@H](O)[C@H](O)C(OC2[C@@H](O)[C@H](O)C(OC3[C@@H](O)[C@H](O)C(OC4[C@@H](O)[C@H](O)C[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H42O20/c25-2-1-3(26)5(28)19(4(2)27)42-21-11(34)13(36)23(14(37)12(21)35)44-24-17(40)15(38)22(16(39)18(24)41)43-20-9(32)7(30)6(29)8(31)10(20)33/h2-41H,1H2/t2-,3+,4+,5-,6?,7-,8+,9+,10-,11-,12+,13-,14+,15-,16+,17-,18+,19?,20?,21?,22?,23?,24?
InChIKeySPUJXFXNKFABHD-WVUNPIQDSA-N
XLogP-11.17
TPSA371.60 Ų
H-Bond Donors17
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.58
LogP ≤ 5-11.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1020

Analyze (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol 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

(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol
CID 88986238
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
[(2S,3R,5S,6S)-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
CID 15886560
[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxycyclohexyl] acetate
CID 71161221
3-tert-butylcyclobutane-1,2-diol
CID 12791413
trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
CID 45102944
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
CID 101174651
(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
CID 14158486
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
(1S,2S,4R,5R)-4-methoxy-5-methylcyclohexane-1,2,3-triol
CID 88986232

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol (CID 139212358) is (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol is OC1[C@@H](O)[C@H](O)C(OC2[C@@H](O)[C@H](O)C(OC3[C@@H](O)[C@H](O)C(OC4[C@@H](O)[C@H](O)C[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol?
The InChIKey is SPUJXFXNKFABHD-WVUNPIQDSA-N. The full InChI is InChI=1S/C24H42O20/c25-2-1-3(26)5(28)19(4(2)27)42-21-11(34)13(36)23(14(37)12(21)35)44-24-17(40)15(38)22(16(39)18(24)41)43-20-9(32)7(30)6(29)8(31)10(20)33/h2-41H,1H2/t2-,3+,4+,5-,6?,7-,8+,9+,10-,11-,12+,13-,14+,15-,16+,17-,18+,19?,20?,21?,22?,23?,24?.
What are the key properties of (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol?
(1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol has a molecular weight of 650.58 g/mol, XLogP of -11.17, 6 rotatable bonds, 17 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-6-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,5R,6S)-2,3,5,6-tetrahydroxycyclohexyl]oxycyclohexyl]oxycyclohexyl]oxycyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 139212358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).