(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal

C6H14N2O5 — CID 87361841

IUPAC(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal
SMILESC[C@@H](O)[C@@H](O)[C@H](ON)[C@H](C=O)ON
InChIInChI=1S/C6H14N2O5/c1-3(10)5(11)6(13-8)4(2-9)12-7/h2-6,10-11H,7-8H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKeyYJCRRHCOEICIGZ-JGWLITMVSA-N
MW194.19 g/mol
LogP-2.56
Rot. Bonds6

About (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal

(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal (PubChem CID 87361841) has the molecular formula C6H14N2O5 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal
PubChem CID87361841
Molecular FormulaC6H14N2O5
Molecular Weight194.19 g/mol
Exact Mass194.09
IUPAC Name(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal
SMILESC[C@@H](O)[C@@H](O)[C@H](ON)[C@H](C=O)ON
InChIInChI=1S/C6H14N2O5/c1-3(10)5(11)6(13-8)4(2-9)12-7/h2-6,10-11H,7-8H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKeyYJCRRHCOEICIGZ-JGWLITMVSA-N
XLogP-2.56
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite
CID 87208483
[(2R,3R,4R)-3,4-dihydroxy-1-oxopentan-2-yl] acetate
CID 141317796
(2S,3R,4S,5R)-2-amino-3,4,5-trihydroxyhexanal
CID 5460919
(2S,3R,4R)-2-amino-3,4,5-trihydroxyhexanal
CID 131227229
(2S,3R,4R,5S)-5-hydroxy-2,3,4-trimethoxyhexanal
CID 22875615
[(2R,3R,4S,5S)-2,4,5-trihydroxy-1-oxohexan-3-yl] acetate
CID 139639685
[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] dihydrogen phosphate
CID 87318834
(4R)-4-aminooxy-2,3,5-trihydroxyheptanal
CID 118983712
2,4,5,6-tetrahydroxy-3-methoxyheptanal
CID 175587172
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal?
The IUPAC name of (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal (CID 87361841) is (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal.
What is the SMILES notation for (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal?
The canonical SMILES for (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal is C[C@@H](O)[C@@H](O)[C@H](ON)[C@H](C=O)ON.
What is the InChIKey of (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal?
The InChIKey is YJCRRHCOEICIGZ-JGWLITMVSA-N. The full InChI is InChI=1S/C6H14N2O5/c1-3(10)5(11)6(13-8)4(2-9)12-7/h2-6,10-11H,7-8H2,1H3/t3-,4+,5-,6-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal?
(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal has a molecular weight of 194.19 g/mol, XLogP of -2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal is sourced from PubChem (CID 87361841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).