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

C24H44O16 — CID 130346645

IUPAC(2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)(O[C@@H]1[C@@H](O)[C@H](C(C)(C)O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H44O16/c1-23(2,20-15(32)14(31)11(28)8(5-25)36-20)39-18-12(29)9(6-26)37-21(16(18)33)24(3,4)40-19-13(30)10(7-27)38-22(35)17(19)34/h8-22,25-35H,5-7H2,1-4H3/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-,22+/m1/s1
InChIKeyACFKLGZUXXQXEE-OKTAGYAHSA-N
MW588.60 g/mol
LogP-5.93
Rot. Bonds9

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

(2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 130346645) has the molecular formula C24H44O16 and a molecular weight of 588.60 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID130346645
Molecular FormulaC24H44O16
Molecular Weight588.60 g/mol
Exact Mass588.26
IUPAC Name(2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)(O[C@@H]1[C@@H](O)[C@H](C(C)(C)O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H44O16/c1-23(2,20-15(32)14(31)11(28)8(5-25)36-20)39-18-12(29)9(6-26)37-21(16(18)33)24(3,4)40-19-13(30)10(7-27)38-22(35)17(19)34/h8-22,25-35H,5-7H2,1-4H3/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-,22+/m1/s1
InChIKeyACFKLGZUXXQXEE-OKTAGYAHSA-N
XLogP-5.93
TPSA268.68 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.60
LogP ≤ 5-5.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

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

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Related Compounds

(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol
CID 163574219
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 162946795
(3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 156619561
(3S,4S,5S,6R)-6-(hydroxymethyl)-4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 68977357
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 52939789
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170688493
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
(2R,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 156614846

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 130346645) is (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)(O[C@@H]1[C@@H](O)[C@H](C(C)(C)O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ACFKLGZUXXQXEE-OKTAGYAHSA-N. The full InChI is InChI=1S/C24H44O16/c1-23(2,20-15(32)14(31)11(28)8(5-25)36-20)39-18-12(29)9(6-26)37-21(16(18)33)24(3,4)40-19-13(30)10(7-27)38-22(35)17(19)34/h8-22,25-35H,5-7H2,1-4H3/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-,22+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 588.60 g/mol, XLogP of -5.93, 9 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropan-2-yl]oxan-4-yl]oxypropan-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 130346645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).