6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol

C13H24O10 — CID 85179577

IUPAC6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
SMILESOCC1OC(CCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H24O10/c14-3-6-9(17)10(18)7(15)4(22-6)1-2-5-8(16)11(19)12(20)13(21)23-5/h4-21H,1-3H2
InChIKeyQQQSPCBXRGVHBP-UHFFFAOYSA-N
MW340.33 g/mol
LogP-4.59
Rot. Bonds4

About 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol

6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol (PubChem CID 85179577) has the molecular formula C13H24O10 and a molecular weight of 340.33 g/mol. Its IUPAC name is 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
PubChem CID85179577
Molecular FormulaC13H24O10
Molecular Weight340.33 g/mol
Exact Mass340.14
IUPAC Name6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
SMILESOCC1OC(CCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H24O10/c14-3-6-9(17)10(18)7(15)4(22-6)1-2-5-8(16)11(19)12(20)13(21)23-5/h4-21H,1-3H2
InChIKeyQQQSPCBXRGVHBP-UHFFFAOYSA-N
XLogP-4.59
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 5-4.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(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
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(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
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol (CID 85179577) is 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol is OCC1OC(CCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The InChIKey is QQQSPCBXRGVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O10/c14-3-6-9(17)10(18)7(15)4(22-6)1-2-5-8(16)11(19)12(20)13(21)23-5/h4-21H,1-3H2.
What are the key properties of 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol?
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol has a molecular weight of 340.33 g/mol, XLogP of -4.59, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 85179577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).