(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

C11H21NO9 — CID 91861848

IUPAC(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H]1O
InChIInChI=1S/C11H21NO9/c12-5-3(14)2-19-11(7(5)16)21-9-8(17)6(15)4(1-13)20-10(9)18/h3-11,13-18H,1-2,12H2/t3-,4+,5-,6+,7+,8-,9+,10?,11-/m0/s1
InChIKeyXEMSSBJJOYGZMJ-CSAALSJVSA-N
MW311.29 g/mol
LogP-4.79
Rot. Bonds3

About (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 91861848) has the molecular formula C11H21NO9 and a molecular weight of 311.29 g/mol. Its IUPAC name is (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID91861848
Molecular FormulaC11H21NO9
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H]1O
InChIInChI=1S/C11H21NO9/c12-5-3(14)2-19-11(7(5)16)21-9-8(17)6(15)4(1-13)20-10(9)18/h3-11,13-18H,1-2,12H2/t3-,4+,5-,6+,7+,8-,9+,10?,11-/m0/s1
InChIKeyXEMSSBJJOYGZMJ-CSAALSJVSA-N
XLogP-4.79
TPSA175.09 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.29
LogP ≤ 5-4.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol with MolForge

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Related Compounds

(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,4,5-triol
CID 52921646
(3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 656512
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 91858046
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 156619275
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
CID 91851492
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91854524
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91853373
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 163586999
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 91847929
(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol
CID 91857116
(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 171122294
(3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,4,5-triol
CID 91846412

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (CID 91861848) is (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is N[C@@H]1[C@@H](O)[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is XEMSSBJJOYGZMJ-CSAALSJVSA-N. The full InChI is InChI=1S/C11H21NO9/c12-5-3(14)2-19-11(7(5)16)21-9-8(17)6(15)4(1-13)20-10(9)18/h3-11,13-18H,1-2,12H2/t3-,4+,5-,6+,7+,8-,9+,10?,11-/m0/s1.
What are the key properties of (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 311.29 g/mol, XLogP of -4.79, 3 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 91861848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).