(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C8H17NO6 — CID 91278110

IUPAC(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNCC[C@]1(O)C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO6/c9-2-1-8(14)6(12)5(11)4(3-10)15-7(8)13/h4-7,10-14H,1-3,9H2/t4-,5-,6+,7?,8-/m1/s1
InChIKeyZTBFXVJKJPEFAY-JTFAZQEDSA-N
MW223.22 g/mol
LogP-3.50
Rot. Bonds3

About (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 91278110) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID91278110
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNCC[C@]1(O)C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO6/c9-2-1-8(14)6(12)5(11)4(3-10)15-7(8)13/h4-7,10-14H,1-3,9H2/t4-,5-,6+,7?,8-/m1/s1
InChIKeyZTBFXVJKJPEFAY-JTFAZQEDSA-N
XLogP-3.50
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.22
LogP ≤ 5-3.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
CID 176884296
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(2S,3S,4S,5S,6R)-3-[(3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57269400
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
CID 138620334

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 91278110) is (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is NCC[C@]1(O)C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is ZTBFXVJKJPEFAY-JTFAZQEDSA-N. The full InChI is InChI=1S/C8H17NO6/c9-2-1-8(14)6(12)5(11)4(3-10)15-7(8)13/h4-7,10-14H,1-3,9H2/t4-,5-,6+,7?,8-/m1/s1.
What are the key properties of (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 223.22 g/mol, XLogP of -3.50, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91278110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).