(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H24N2O10 — CID 101182288

IUPAC(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC[C@H]1O[C@H]2N=C(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H24N2O10/c17-2-1-4-6(19)9(22)11-13(24-4)16-14(26-11)15-12-10(23)8(21)7(20)5(3-18)25-12/h4-13,17-23H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1
InChIKeyDDVKHCVBGIQTKU-NVYKSAHZSA-N
MW380.35 g/mol
LogP-5.04
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 101182288) has the molecular formula C14H24N2O10 and a molecular weight of 380.35 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID101182288
Molecular FormulaC14H24N2O10
Molecular Weight380.35 g/mol
Exact Mass380.14
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC[C@H]1O[C@H]2N=C(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H24N2O10/c17-2-1-4-6(19)9(22)11-13(24-4)16-14(26-11)15-12-10(23)8(21)7(20)5(3-18)25-12/h4-13,17-23H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1
InChIKeyDDVKHCVBGIQTKU-NVYKSAHZSA-N
XLogP-5.04
TPSA193.69 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500380.35
LogP ≤ 5-5.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-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 (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 101182288) is (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC[C@H]1O[C@H]2N=C(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is DDVKHCVBGIQTKU-NVYKSAHZSA-N. The full InChI is InChI=1S/C14H24N2O10/c17-2-1-4-6(19)9(22)11-13(24-4)16-14(26-11)15-12-10(23)8(21)7(20)5(3-18)25-12/h4-13,17-23H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 380.35 g/mol, XLogP of -5.04, 4 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 101182288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).