(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol

C18H32O16 — CID 162918256

IUPAC(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
SMILESOC[C@H](O)[C@@H]1O[C@@H](O[C@H](CO)[C@@H]2O[C@@H](O[C@H](CO)[C@@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H32O16/c19-1-4(22)13-8(24)11(27)17(33-13)31-6(3-21)15-9(25)12(28)18(34-15)30-5(2-20)14-7(23)10(26)16(29)32-14/h4-29H,1-3H2/t4-,5+,6+,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17+,18+/m0/s1
InChIKeyBXEARCKJAZWJTJ-ZASOWXNRSA-N
MW504.44 g/mol
LogP-7.57
Rot. Bonds10

About (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol

(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol (PubChem CID 162918256) has the molecular formula C18H32O16 and a molecular weight of 504.44 g/mol. Its IUPAC name is (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
PubChem CID162918256
Molecular FormulaC18H32O16
Molecular Weight504.44 g/mol
Exact Mass504.17
IUPAC Name(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
SMILESOC[C@H](O)[C@@H]1O[C@@H](O[C@H](CO)[C@@H]2O[C@@H](O[C@H](CO)[C@@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H32O16/c19-1-4(22)13-8(24)11(27)17(33-13)31-6(3-21)15-9(25)12(28)18(34-15)30-5(2-20)14-7(23)10(26)16(29)32-14/h4-29H,1-3H2/t4-,5+,6+,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17+,18+/m0/s1
InChIKeyBXEARCKJAZWJTJ-ZASOWXNRSA-N
XLogP-7.57
TPSA268.68 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 5-7.57
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-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 (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol (CID 162918256) is (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol is OC[C@H](O)[C@@H]1O[C@@H](O[C@H](CO)[C@@H]2O[C@@H](O[C@H](CO)[C@@H]3O[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is BXEARCKJAZWJTJ-ZASOWXNRSA-N. The full InChI is InChI=1S/C18H32O16/c19-1-4(22)13-8(24)11(27)17(33-13)31-6(3-21)15-9(25)12(28)18(34-15)30-5(2-20)14-7(23)10(26)16(29)32-14/h4-29H,1-3H2/t4-,5+,6+,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17+,18+/m0/s1.
What are the key properties of (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol?
(2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 504.44 g/mol, XLogP of -7.57, 10 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5R)-5-[(1R)-1-[(2R,3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 162918256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).