6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol

C19H32O15 — CID 162962433

IUPAC6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol
SMILESOCC1OC(OC2C3COC2C(CO)C(OC2C(O)C(O)OC(CO)C2O)O3)C(O)C(O)C1O
InChIInChI=1S/C19H32O15/c20-1-5-14-15(33-19-12(26)11(25)9(23)6(2-21)31-19)8(4-29-14)32-18(5)34-16-10(24)7(3-22)30-17(28)13(16)27/h5-28H,1-4H2
InChIKeyHILOKHUPRDNABX-UHFFFAOYSA-N
MW500.45 g/mol
LogP-6.28
Rot. Bonds7

About 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol

6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol (PubChem CID 162962433) has the molecular formula C19H32O15 and a molecular weight of 500.45 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol
PubChem CID162962433
Molecular FormulaC19H32O15
Molecular Weight500.45 g/mol
Exact Mass500.17
IUPAC Name6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol
SMILESOCC1OC(OC2C3COC2C(CO)C(OC2C(O)C(O)OC(CO)C2O)O3)C(O)C(O)C1O
InChIInChI=1S/C19H32O15/c20-1-5-14-15(33-19-12(26)11(25)9(23)6(2-21)31-19)8(4-29-14)32-18(5)34-16-10(24)7(3-22)30-17(28)13(16)27/h5-28H,1-4H2
InChIKeyHILOKHUPRDNABX-UHFFFAOYSA-N
XLogP-6.28
TPSA237.45 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500500.45
LogP ≤ 5-6.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol with MolForge

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Related Compounds

(3R,4S,5S,6R)-6-(hydroxymethyl)-4-[[(1S,3S,4S,5R,8R)-4-methoxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol
CID 91847568
(2S,4S,5R)-2-[[(3R,8R)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71273713
(2R,3R,4S,5S,6R)-2-[[(1R,3R,4R,5R,8R)-3-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91846041
(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
(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
(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
(2R,5S)-4-[[(3R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 70916892
[(2S,3S,4R,5S,6S)-6-[(2S,3R,4S,5S,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,3S,4S,5S,8R)-4-hydroxy-3-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 91848710
(2S,3R,4S,5S,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,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 91848751
(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 156616707
(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 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol?
The IUPAC name of 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol (CID 162962433) is 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol.
What is the SMILES notation for 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol?
The canonical SMILES for 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol is OCC1OC(OC2C3COC2C(CO)C(OC2C(O)C(O)OC(CO)C2O)O3)C(O)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol?
The InChIKey is HILOKHUPRDNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O15/c20-1-5-14-15(33-19-12(26)11(25)9(23)6(2-21)31-19)8(4-29-14)32-18(5)34-16-10(24)7(3-22)30-17(28)13(16)27/h5-28H,1-4H2.
What are the key properties of 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol?
6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol has a molecular weight of 500.45 g/mol, XLogP of -6.28, 7 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-[[4-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol is sourced from PubChem (CID 162962433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).