2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide

C8H15N5O6 — CID 132933564

IUPAC2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide
SMILES[N-]=[N+]=NCC(=O)NNC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H15N5O6/c9-13-10-1-4(15)11-12-8-7(18)6(17)5(16)3(2-14)19-8/h3,5-8,12,14,16-18H,1-2H2,(H,11,15)/t3-,5+,6+,7-,8?/m1/s1
InChIKeyLUGJTJNQLHNDNR-SUVUXTLLSA-N
MW277.24 g/mol
LogP-3.28
Rot. Bonds5

About 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide

2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide (PubChem CID 132933564) has the molecular formula C8H15N5O6 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide
PubChem CID132933564
Molecular FormulaC8H15N5O6
Molecular Weight277.24 g/mol
Exact Mass277.10
IUPAC Name2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide
SMILES[N-]=[N+]=NCC(=O)NNC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H15N5O6/c9-13-10-1-4(15)11-12-8-7(18)6(17)5(16)3(2-14)19-8/h3,5-8,12,14,16-18H,1-2H2,(H,11,15)/t3-,5+,6+,7-,8?/m1/s1
InChIKeyLUGJTJNQLHNDNR-SUVUXTLLSA-N
XLogP-3.28
TPSA180.04 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.24
LogP ≤ 5-3.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-oxo-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]hexanoic acid
CID 69245387
2-azido-N-[(2R,3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91032840
2-azido-N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101272161
2-azido-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718648
2-oxo-2-[2-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]acetamide
CID 7348661
1-methyl-3-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]thiourea
CID 124909209
2-bromo-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 11174069
2-bromo-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 6453781
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 59798737
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide
CID 90304914

Frequently Asked Questions

What is the IUPAC name of 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide?
The IUPAC name of 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide (CID 132933564) is 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide.
What is the SMILES notation for 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide?
The canonical SMILES for 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide is [N-]=[N+]=NCC(=O)NNC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide?
The InChIKey is LUGJTJNQLHNDNR-SUVUXTLLSA-N. The full InChI is InChI=1S/C8H15N5O6/c9-13-10-1-4(15)11-12-8-7(18)6(17)5(16)3(2-14)19-8/h3,5-8,12,14,16-18H,1-2H2,(H,11,15)/t3-,5+,6+,7-,8?/m1/s1.
What are the key properties of 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide?
2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide has a molecular weight of 277.24 g/mol, XLogP of -3.28, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide is sourced from PubChem (CID 132933564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).