(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C18H32O15 — CID 173281082

IUPAC(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@@H](O)[C@@]2(O)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H32O15/c19-1-5-9(22)11(24)13(26)16(31-5)18(29)8(4-30-7(3-21)15(18)28)33-17-14(27)12(25)10(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15-,16+,17-,18-/m1/s1
InChIKeyKSFAJYRMPJHLGP-CKBPEJPESA-N
MW488.44 g/mol
LogP-7.50
Rot. Bonds6

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

(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 173281082) has the molecular formula C18H32O15 and a molecular weight of 488.44 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID173281082
Molecular FormulaC18H32O15
Molecular Weight488.44 g/mol
Exact Mass488.17
IUPAC Name(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@@H](O)[C@@]2(O)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H32O15/c19-1-5-9(22)11(24)13(26)16(31-5)18(29)8(4-30-7(3-21)15(18)28)33-17-14(27)12(25)10(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15-,16+,17-,18-/m1/s1
InChIKeyKSFAJYRMPJHLGP-CKBPEJPESA-N
XLogP-7.50
TPSA259.45 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500488.44
LogP ≤ 5-7.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(2R,5S)-2-[(3S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 147761063
(1S,2R,4R,5S)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 162937469
6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 54385408
(3S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 69474351
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 174643366

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 173281082) is (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@@H](O)[C@@]2(O)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is KSFAJYRMPJHLGP-CKBPEJPESA-N. The full InChI is InChI=1S/C18H32O15/c19-1-5-9(22)11(24)13(26)16(31-5)18(29)8(4-30-7(3-21)15(18)28)33-17-14(27)12(25)10(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15-,16+,17-,18-/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 488.44 g/mol, XLogP of -7.50, 6 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 173281082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).