(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol

C13H22N2O10 — CID 10761383

IUPAC(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
SMILESOC[C@H]1O[C@H](NC2=N[C@@H]3[C@H](O2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4+,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
InChIKeyNRKVPNOUINUNKY-GFLCLBJESA-N
MW366.32 g/mol
LogP-6.04
Rot. Bonds3

About (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol

(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol (PubChem CID 10761383) has the molecular formula C13H22N2O10 and a molecular weight of 366.32 g/mol. Its IUPAC name is (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol.

Molecular Properties

Compound Name(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
PubChem CID10761383
Molecular FormulaC13H22N2O10
Molecular Weight366.32 g/mol
Exact Mass366.13
IUPAC Name(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
SMILESOC[C@H]1O[C@H](NC2=N[C@@H]3[C@H](O2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4+,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
InChIKeyNRKVPNOUINUNKY-GFLCLBJESA-N
XLogP-6.04
TPSA204.69 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500366.32
LogP ≤ 5-6.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol?
The IUPAC name of (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol (CID 10761383) is (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol.
What is the SMILES notation for (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol?
The canonical SMILES for (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol is OC[C@H]1O[C@H](NC2=N[C@@H]3[C@H](O2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol?
The InChIKey is NRKVPNOUINUNKY-GFLCLBJESA-N. The full InChI is InChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4+,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1.
What are the key properties of (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol?
(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol has a molecular weight of 366.32 g/mol, XLogP of -6.04, 3 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol is sourced from PubChem (CID 10761383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).