(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide

C6H14N4O6 — CID 54515822

IUPAC(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide
SMILESNNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NN
InChIInChI=1S/C6H14N4O6/c7-9-5(15)3(13)1(11)2(12)4(14)6(16)10-8/h1-4,11-14H,7-8H2,(H,9,15)(H,10,16)/t1-,2+,3+,4-
InChIKeyYMIIBTMEYWGWGD-DUHBMQHGSA-N
MW238.20 g/mol
LogP-5.59
Rot. Bonds5

About (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide

(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide (PubChem CID 54515822) has the molecular formula C6H14N4O6 and a molecular weight of 238.20 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide
PubChem CID54515822
Molecular FormulaC6H14N4O6
Molecular Weight238.20 g/mol
Exact Mass238.09
IUPAC Name(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide
SMILESNNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NN
InChIInChI=1S/C6H14N4O6/c7-9-5(15)3(13)1(11)2(12)4(14)6(16)10-8/h1-4,11-14H,7-8H2,(H,9,15)(H,10,16)/t1-,2+,3+,4-
InChIKeyYMIIBTMEYWGWGD-DUHBMQHGSA-N
XLogP-5.59
TPSA191.16 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.20
LogP ≤ 5-5.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide?
The IUPAC name of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide (CID 54515822) is (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide.
What is the SMILES notation for (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide?
The canonical SMILES for (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide is NNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NN.
What is the InChIKey of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide?
The InChIKey is YMIIBTMEYWGWGD-DUHBMQHGSA-N. The full InChI is InChI=1S/C6H14N4O6/c7-9-5(15)3(13)1(11)2(12)4(14)6(16)10-8/h1-4,11-14H,7-8H2,(H,9,15)(H,10,16)/t1-,2+,3+,4-.
What are the key properties of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide?
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide has a molecular weight of 238.20 g/mol, XLogP of -5.59, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide is sourced from PubChem (CID 54515822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).