(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol

C8H18N2O4 — CID 7566717

IUPAC(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](NCCN)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H18N2O4/c1-4-5(11)6(12)7(13)8(14-4)10-3-2-9/h4-8,10-13H,2-3,9H2,1H3/t4-,5+,6+,7+,8-/m1/s1
InChIKeyUSQKXBDJRRFWOJ-IMFYSGRJSA-N
MW206.24 g/mol
LogP-2.64
Rot. Bonds3

About (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol (PubChem CID 7566717) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
PubChem CID7566717
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](NCCN)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H18N2O4/c1-4-5(11)6(12)7(13)8(14-4)10-3-2-9/h4-8,10-13H,2-3,9H2,1H3/t4-,5+,6+,7+,8-/m1/s1
InChIKeyUSQKXBDJRRFWOJ-IMFYSGRJSA-N
XLogP-2.64
TPSA107.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4S,5S,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
CID 18641174
(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
CID 7081007
(2S,3S,4R,5S,6S)-2-methyl-6-(methylamino)oxane-3,4,5-triol
CID 145158354
(3R,4S,5R,6R)-2-[2-(2-aminoethylamino)ethyl-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]-6-methyloxane-3,4,5-triol
CID 22091063
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
2-[[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]pentanedioic acid
CID 175402972
2-amino-6-methyloxane-3,4,5-triol
CID 4218932
(2S,3R,4S,5S,6R)-2-amino-6-methyloxane-3,4,5-triol
CID 70182320
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
bis((2R,3S,4R,5R,6R)-5-amino-6-(2-aminoethylamino)-2-(hydroxymethyl)oxane-3,4-diol);nickel(2+);dichloride
CID 10325734
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol (CID 7566717) is (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol is C[C@H]1O[C@@H](NCCN)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol?
The InChIKey is USQKXBDJRRFWOJ-IMFYSGRJSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-4-5(11)6(12)7(13)8(14-4)10-3-2-9/h4-8,10-13H,2-3,9H2,1H3/t4-,5+,6+,7+,8-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -2.64, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 7566717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).