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

C13H24O10 — CID 155627540

IUPAC(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
SMILESOCC1O[C@H](C[C@@H]2C(CO)O[C@H](O)C(O)[C@@H]2O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O10/c14-2-6-4(8(16)12(20)13(21)23-6)1-5-9(17)11(19)10(18)7(3-15)22-5/h4-21H,1-3H2/t4-,5-,6?,7?,8-,9?,10-,11+,12?,13+/m1/s1
InChIKeyYCTRKTVLEQQGSW-BDNDBBPISA-N
MW340.33 g/mol
LogP-4.73
Rot. Bonds4

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

(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol (PubChem CID 155627540) has the molecular formula C13H24O10 and a molecular weight of 340.33 g/mol. Its IUPAC name is (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
PubChem CID155627540
Molecular FormulaC13H24O10
Molecular Weight340.33 g/mol
Exact Mass340.14
IUPAC Name(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
SMILESOCC1O[C@H](C[C@@H]2C(CO)O[C@H](O)C(O)[C@@H]2O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O10/c14-2-6-4(8(16)12(20)13(21)23-6)1-5-9(17)11(19)10(18)7(3-15)22-5/h4-21H,1-3H2/t4-,5-,6?,7?,8-,9?,10-,11+,12?,13+/m1/s1
InChIKeyYCTRKTVLEQQGSW-BDNDBBPISA-N
XLogP-4.73
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 ≤ 5-4.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol 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 (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
The IUPAC name of (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol (CID 155627540) is (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol.
What is the SMILES notation for (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
The canonical SMILES for (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol is OCC1O[C@H](C[C@@H]2C(CO)O[C@H](O)C(O)[C@@H]2O)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
The InChIKey is YCTRKTVLEQQGSW-BDNDBBPISA-N. The full InChI is InChI=1S/C13H24O10/c14-2-6-4(8(16)12(20)13(21)23-6)1-5-9(17)11(19)10(18)7(3-15)22-5/h4-21H,1-3H2/t4-,5-,6?,7?,8-,9?,10-,11+,12?,13+/m1/s1.
What are the key properties of (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol?
(2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol has a molecular weight of 340.33 g/mol, XLogP of -4.73, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-6-(hydroxymethyl)-5-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol is sourced from PubChem (CID 155627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).