GlyTouCan:G15197CN

C19H34O14 — CID 91846616

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,6S)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESC[C@H]1[C@H]([C@H](C[C@H](O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChIInChI=1S/C19H34O14/c1-6-17(7(28-2)3-10(21)30-6)33-19-16(27)14(25)12(23)9(32-19)5-29-18-15(26)13(24)11(22)8(4-20)31-18/h6-27H,3-5H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13-,14-,15+,16+,17+,18+,19-/m0/s1
InChIKeyAXHAWHFPIGLFRQ-DUEPGICZSA-N
MW486.50 g/mol
LogP-4.30
Rot. Bonds7

About GlyTouCan:G15197CN

GlyTouCan:G15197CN (PubChem CID 91846616) has the molecular formula C19H34O14 and a molecular weight of 486.50 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,6S)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound NameGlyTouCan:G15197CN
PubChem CID91846616
Molecular FormulaC19H34O14
Molecular Weight486.50 g/mol
Exact Mass486.19
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,6S)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESC[C@H]1[C@H]([C@H](C[C@H](O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChIInChI=1S/C19H34O14/c1-6-17(7(28-2)3-10(21)30-6)33-19-16(27)14(25)12(23)9(32-19)5-29-18-15(26)13(24)11(22)8(4-20)31-18/h6-27H,3-5H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13-,14-,15+,16+,17+,18+,19-/m0/s1
InChIKeyAXHAWHFPIGLFRQ-DUEPGICZSA-N
XLogP-4.30
TPSA217.00 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms33
Complexity611

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500486.50
LogP ≤ 5-4.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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Related Compounds

Lactitol
CID 157355
beta-Cyclodextrin
CID 444041
alpha-D-Mannan
CID 25147451
Trehalose
CID 7427
(+)-Lactose
CID 440995
Maltitol
CID 493591
Maltose
CID 439186
Raffinose
CID 439242
alpha-D-lactose
CID 84571
Isomalt
CID 3034828
Amylodextrin
CID 439341
Alpha-Cyclodextrin
CID 444913

Frequently Asked Questions

What is the IUPAC name of GlyTouCan:G15197CN?
The IUPAC name of GlyTouCan:G15197CN (CID 91846616) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,6S)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for GlyTouCan:G15197CN?
The canonical SMILES for GlyTouCan:G15197CN is C[C@H]1[C@H]([C@H](C[C@H](O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O.
What is the InChIKey of GlyTouCan:G15197CN?
The InChIKey is AXHAWHFPIGLFRQ-DUEPGICZSA-N. The full InChI is InChI=1S/C19H34O14/c1-6-17(7(28-2)3-10(21)30-6)33-19-16(27)14(25)12(23)9(32-19)5-29-18-15(26)13(24)11(22)8(4-20)31-18/h6-27H,3-5H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13-,14-,15+,16+,17+,18+,19-/m0/s1.
What are the key properties of GlyTouCan:G15197CN?
GlyTouCan:G15197CN has a molecular weight of 486.50 g/mol, XLogP of -4.30, 7 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for GlyTouCan:G15197CN is sourced from PubChem (CID 91846616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).