(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol

C21H32O10 — CID 162855359

IUPAC(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
SMILESC[C@H](CCc1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H32O10/c1-12(7-8-13-5-3-2-4-6-13)30-19-17(25)16(24)15(23)14(31-19)9-28-20-18(26)21(27,10-22)11-29-20/h2-6,12,14-20,22-27H,7-11H2,1H3/t12-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
InChIKeyLAZTYHUJTYIXAO-LRQUAVBHSA-N
MW444.48 g/mol
LogP-1.71
Rot. Bonds9

About (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 162855359) has the molecular formula C21H32O10 and a molecular weight of 444.48 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
PubChem CID162855359
Molecular FormulaC21H32O10
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC Name(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
SMILESC[C@H](CCc1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H32O10/c1-12(7-8-13-5-3-2-4-6-13)30-19-17(25)16(24)15(23)14(31-19)9-28-20-18(26)21(27,10-22)11-29-20/h2-6,12,14-20,22-27H,7-11H2,1H3/t12-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
InChIKeyLAZTYHUJTYIXAO-LRQUAVBHSA-N
XLogP-1.71
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 5-1.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol (CID 162855359) is (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol is C[C@H](CCc1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
The InChIKey is LAZTYHUJTYIXAO-LRQUAVBHSA-N. The full InChI is InChI=1S/C21H32O10/c1-12(7-8-13-5-3-2-4-6-13)30-19-17(25)16(24)15(23)14(31-19)9-28-20-18(26)21(27,10-22)11-29-20/h2-6,12,14-20,22-27H,7-11H2,1H3/t12-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 444.48 g/mol, XLogP of -1.71, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 162855359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).