(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol

C8H17NO4S — CID 130874585

IUPAC(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCSC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C8H17NO4S/c1-2-14-8-5(9)7(12)6(11)4(3-10)13-8/h4-8,10-12H,2-3,9H2,1H3/t4-,5-,6+,7-,8?/m1/s1
InChIKeyVJOYNADMAQNGBK-KEWYIRBNSA-N
MW223.29 g/mol
LogP-1.49
Rot. Bonds3

About (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 130874585) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID130874585
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCSC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C8H17NO4S/c1-2-14-8-5(9)7(12)6(11)4(3-10)13-8/h4-8,10-12H,2-3,9H2,1H3/t4-,5-,6+,7-,8?/m1/s1
InChIKeyVJOYNADMAQNGBK-KEWYIRBNSA-N
XLogP-1.49
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S,6S)-5-amino-6-hexylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 70264169
5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
CID 20760770
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 140997218
(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 102371924
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
N-[6-[5-[(2S,5R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylamino]-6-oxohexyl]octanamide
CID 59928998
(2R,3S,4R,5R,6R)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropyl]sulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 71696309

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol (CID 130874585) is (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol is CCSC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is VJOYNADMAQNGBK-KEWYIRBNSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-2-14-8-5(9)7(12)6(11)4(3-10)13-8/h4-8,10-12H,2-3,9H2,1H3/t4-,5-,6+,7-,8?/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 223.29 g/mol, XLogP of -1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 130874585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).