(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide

C12H18N2O6 — CID 121010077

IUPAC(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide
SMILESCOc1ccc(N(N)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C12H18N2O6/c1-20-8-4-2-7(3-5-8)14(13)12(19)11(18)10(17)9(16)6-15/h2-5,9-11,15-18H,6,13H2,1H3/t9-,10-,11+/m1/s1
InChIKeyVDPKJJNSWZFOJL-MXWKQRLJSA-N
MW286.28 g/mol
LogP-2.02
Rot. Bonds6

About (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide

(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide (PubChem CID 121010077) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide
PubChem CID121010077
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide
SMILESCOc1ccc(N(N)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C12H18N2O6/c1-20-8-4-2-7(3-5-8)14(13)12(19)11(18)10(17)9(16)6-15/h2-5,9-11,15-18H,6,13H2,1H3/t9-,10-,11+/m1/s1
InChIKeyVDPKJJNSWZFOJL-MXWKQRLJSA-N
XLogP-2.02
TPSA136.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

amino-(4-methoxyphenyl)carbamic acid
CID 66864834
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
[4-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphenyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 67241631
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
methyl 2-(N-amino-4-methoxyanilino)acetate
CID 54130144
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
(4-aminophenyl) (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 141212230

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide?
The IUPAC name of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide (CID 121010077) is (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide.
What is the SMILES notation for (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide?
The canonical SMILES for (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide is COc1ccc(N(N)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide?
The InChIKey is VDPKJJNSWZFOJL-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-20-8-4-2-7(3-5-8)14(13)12(19)11(18)10(17)9(16)6-15/h2-5,9-11,15-18H,6,13H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide?
(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide has a molecular weight of 286.28 g/mol, XLogP of -2.02, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide is sourced from PubChem (CID 121010077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).