(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol

C10H21NO4 — CID 71155338

IUPAC(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol
SMILESCCCO[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C10H21NO4/c1-3-5-14-10-7(11)9(13)8(12)6(4-2)15-10/h6-10,12-13H,3-5,11H2,1-2H3/t6?,7?,8-,9-,10-/m1/s1
InChIKeyBRFSIVOJAQTPEZ-HZUXAKDWSA-N
MW219.28 g/mol
LogP-0.40
Rot. Bonds4

About (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol

(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol (PubChem CID 71155338) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol
PubChem CID71155338
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol
SMILESCCCO[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C10H21NO4/c1-3-5-14-10-7(11)9(13)8(12)6(4-2)15-10/h6-10,12-13H,3-5,11H2,1-2H3/t6?,7?,8-,9-,10-/m1/s1
InChIKeyBRFSIVOJAQTPEZ-HZUXAKDWSA-N
XLogP-0.40
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,5R,6R)-5-amino-6-butoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 10879084
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-pentoxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 175295521
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxypropoxy)oxane-3,4-diol
CID 130187897
(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]oxane-3,4-diol
CID 10881296
6-[[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 163093840
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
butyl 5-[6-(acetyloxymethyl)-3-amino-4,5-dihydroxyoxan-2-yl]oxypentanoate
CID 90248226
2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-propoxyoxan-2-yl)methoxy]oxane-3,4,5-triol;molecular hydrogen
CID 159174958

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol?
The IUPAC name of (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol (CID 71155338) is (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol.
What is the SMILES notation for (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol?
The canonical SMILES for (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol is CCCO[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1N.
What is the InChIKey of (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol?
The InChIKey is BRFSIVOJAQTPEZ-HZUXAKDWSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-5-14-10-7(11)9(13)8(12)6(4-2)15-10/h6-10,12-13H,3-5,11H2,1-2H3/t6?,7?,8-,9-,10-/m1/s1.
What are the key properties of (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol?
(3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol has a molecular weight of 219.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-5-amino-2-ethyl-6-propoxyoxane-3,4-diol is sourced from PubChem (CID 71155338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).