6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)

C48H96O41 — CID 171703405

IUPAC6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
SMILESOCC1OC(O)C(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O
InChIInChI=1S/C6H12O6.7C6H12O5/c7-1-2-3(8)4(9)5(10)6(11)12-2;7*7-1-4-6(10)5(9)3(8)2-11-4/h2-11H,1H2;7*3-10H,1-2H2
InChIKeyOIULVZGBOMVYDN-UHFFFAOYSA-N
MW1329.26 g/mol
LogP-21.00
Rot. Bonds8

About 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)

6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol) (PubChem CID 171703405) has the molecular formula C48H96O41 and a molecular weight of 1329.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol).

Molecular Properties

Compound Name6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
PubChem CID171703405
Molecular FormulaC48H96O41
Molecular Weight1329.26 g/mol
Exact Mass1328.54
IUPAC Name6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
SMILESOCC1OC(O)C(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O
InChIInChI=1S/C6H12O6.7C6H12O5/c7-1-2-3(8)4(9)5(10)6(11)12-2;7*7-1-4-6(10)5(9)3(8)2-11-4/h2-11H,1H2;7*3-10H,1-2H2
InChIKeyOIULVZGBOMVYDN-UHFFFAOYSA-N
XLogP-21.00
TPSA741.43 Ų
H-Bond Donors33
H-Bond Acceptors41
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.26
LogP ≤ 5-21.00
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1041

Analyze 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol) with MolForge

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)?
The IUPAC name of 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol) (CID 171703405) is 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol).
What is the SMILES notation for 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)?
The canonical SMILES for 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol) is OCC1OC(O)C(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.OCC1OCC(O)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)?
The InChIKey is OIULVZGBOMVYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.7C6H12O5/c7-1-2-3(8)4(9)5(10)6(11)12-2;7*7-1-4-6(10)5(9)3(8)2-11-4/h2-11H,1H2;7*3-10H,1-2H2.
What are the key properties of 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)?
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol) has a molecular weight of 1329.26 g/mol, XLogP of -21.00, 8 rotatable bonds, 33 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol) is sourced from PubChem (CID 171703405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).