(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol

C11H15N2O6- — CID 163181390

IUPAC(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol
SMILES[O-]N(O)c1cccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C11H15N2O6/c14-8-5-19-11(10(16)9(8)15)12-6-2-1-3-7(4-6)13(17)18/h1-4,8-12,14-17H,5H2/q-1/t8-,9-,10-,11+/m1/s1
InChIKeyYINIMDRQRTWIRS-DBIOUOCHSA-N
MW271.25 g/mol
LogP-0.77
Rot. Bonds3

About (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol

(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol (PubChem CID 163181390) has the molecular formula C11H15N2O6- and a molecular weight of 271.25 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol
PubChem CID163181390
Molecular FormulaC11H15N2O6-
Molecular Weight271.25 g/mol
Exact Mass271.09
IUPAC Name(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol
SMILES[O-]N(O)c1cccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C11H15N2O6/c14-8-5-19-11(10(16)9(8)15)12-6-2-1-3-7(4-6)13(17)18/h1-4,8-12,14-17H,5H2/q-1/t8-,9-,10-,11+/m1/s1
InChIKeyYINIMDRQRTWIRS-DBIOUOCHSA-N
XLogP-0.77
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[hydroxy(oxido)amino]-4-methylanilino]oxane-3,4,5-triol
CID 163171285
(3S,4R,5R)-2-anilinooxane-3,4,5-triol
CID 22887314
(2S,3R,4S,5R)-2-(3-nitroanilino)oxane-3,4,5-triol
CID 1361039
(2R,3S,4S,5S)-2-(3-nitroanilino)oxane-3,4,5-triol
CID 124797923
(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol
CID 7452610
4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
CID 131843395
2-nitro-4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonic acid
CID 42533832
(1S,2R,3R,4S)-2-N,3-N-bis[3-[hydroxy(oxido)amino]phenyl]bicyclo[2.2.2]oct-5-ene-2,3-dicarboxamide
CID 163152070
(2R,3S,4R,5R)-2-(3-nitro-5-phenylsulfanylanilino)oxane-3,4,5-triol
CID 7123834
(2R,3R,4R,5S)-2-(3-nitro-5-phenylsulfanylanilino)oxane-3,4,5-triol
CID 98396915
[(2S)-oxiran-2-yl]methyl 3-[hydroxy(oxido)amino]benzenesulfonate
CID 163856566
(2S,3R,4S,5R)-2-[4-[chloro(difluoro)methoxy]anilino]oxane-3,4,5-triol
CID 124767321

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol (CID 163181390) is (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol is [O-]N(O)c1cccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1.
What is the InChIKey of (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol?
The InChIKey is YINIMDRQRTWIRS-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H15N2O6/c14-8-5-19-11(10(16)9(8)15)12-6-2-1-3-7(4-6)13(17)18/h1-4,8-12,14-17H,5H2/q-1/t8-,9-,10-,11+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol?
(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol has a molecular weight of 271.25 g/mol, XLogP of -0.77, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol is sourced from PubChem (CID 163181390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).