(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide

C12H18N2O5 — CID 131873051

IUPAC(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
SMILESC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NNc1ccccc1
InChIInChI=1S/C12H18N2O5/c1-7(15)9(16)10(17)11(18)12(19)14-13-8-5-3-2-4-6-8/h2-7,9-11,13,15-18H,1H3,(H,14,19)/t7-,9+,10+,11-/m1/s1
InChIKeyWQDQMZRHLJQUIR-GRLWKWRFSA-N
MW270.29 g/mol
LogP-1.41
Rot. Bonds6

About (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide (PubChem CID 131873051) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
PubChem CID131873051
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
SMILESC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NNc1ccccc1
InChIInChI=1S/C12H18N2O5/c1-7(15)9(16)10(17)11(18)12(19)14-13-8-5-3-2-4-6-8/h2-7,9-11,13,15-18H,1H3,(H,14,19)/t7-,9+,10+,11-/m1/s1
InChIKeyWQDQMZRHLJQUIR-GRLWKWRFSA-N
XLogP-1.41
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
CID 1239861
(2R,4R,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 92532681
(2R,4S,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 98572843
propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
CID 4661286
(2S)-2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N'-phenylpropanehydrazide
CID 135391424
N-anilinocarbamoyl chloride
CID 57449233
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide
CID 131874259
2-(2-phenylhydrazinyl)propanoic acid
CID 77247806
1-anilino-3-methylurea;ethane
CID 143768639
(2S)-2-amino-N',3-diphenylpropanehydrazide
CID 11379833
1-N',3-N'-diphenyl-2-prop-2-enylpropanedihydrazide
CID 5088249

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide (CID 131873051) is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide is C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NNc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide?
The InChIKey is WQDQMZRHLJQUIR-GRLWKWRFSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7(15)9(16)10(17)11(18)12(19)14-13-8-5-3-2-4-6-8/h2-7,9-11,13,15-18H,1H3,(H,14,19)/t7-,9+,10+,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide?
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide has a molecular weight of 270.29 g/mol, XLogP of -1.41, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide is sourced from PubChem (CID 131873051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).