(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

C23H40O18 — CID 130253163

IUPAC(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@@H]2C[C@@H](O)[C@H](O)[C@@H](CO[C@H]3OC[C@@H](O)C[C@H]3O)O2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H40O18/c24-3-10-20(17(31)18(32)21(34)39-10)41-23-19(33)16(30)15(29)12(40-23)5-35-13-2-8(26)14(28)11(38-13)6-37-22-9(27)1-7(25)4-36-22/h7-34H,1-6H2/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18+,19+,20+,21-,22+,23+/m0/s1
InChIKeyZWDKOFFIHWFPCB-AZFLUCHESA-N
MW604.55 g/mol
LogP-7.05
Rot. Bonds9

About (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 130253163) has the molecular formula C23H40O18 and a molecular weight of 604.55 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
PubChem CID130253163
Molecular FormulaC23H40O18
Molecular Weight604.55 g/mol
Exact Mass604.22
IUPAC Name(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@@H]2C[C@@H](O)[C@H](O)[C@@H](CO[C@H]3OC[C@@H](O)C[C@H]3O)O2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H40O18/c24-3-10-20(17(31)18(32)21(34)39-10)41-23-19(33)16(30)15(29)12(40-23)5-35-13-2-8(26)14(28)11(38-13)6-37-22-9(27)1-7(25)4-36-22/h7-34H,1-6H2/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18+,19+,20+,21-,22+,23+/m0/s1
InChIKeyZWDKOFFIHWFPCB-AZFLUCHESA-N
XLogP-7.05
TPSA287.14 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500604.55
LogP ≤ 5-7.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol with MolForge

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Related Compounds

(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 11636781
(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 156617009
(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91860140
(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2,3,4-triol
CID 91847728
(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 171933449
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11593366
(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91856216
(2R,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101474403
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11722277
(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 163189744
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]oxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 156617218
(2S,4S,5R)-2-[(2R,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-6-[[(2R,4S,5R)-4,5-dihydroxy-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140531469

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (CID 130253163) is (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@@H]2C[C@@H](O)[C@H](O)[C@@H](CO[C@H]3OC[C@@H](O)C[C@H]3O)O2)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
The InChIKey is ZWDKOFFIHWFPCB-AZFLUCHESA-N. The full InChI is InChI=1S/C23H40O18/c24-3-10-20(17(31)18(32)21(34)39-10)41-23-19(33)16(30)15(29)12(40-23)5-35-13-2-8(26)14(28)11(38-13)6-37-22-9(27)1-7(25)4-36-22/h7-34H,1-6H2/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18+,19+,20+,21-,22+,23+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 604.55 g/mol, XLogP of -7.05, 9 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2S,4R,5S,6R)-6-[[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 130253163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).