(2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C11H15N7O7 — CID 71473543

IUPAC(2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES[N-]=[N+]=NCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])OC(C(=O)O)=C[C@@H]1O
InChIInChI=1S/C11H15N7O7/c12-17-14-2-5(20)9(22)10-8(16-7(21)3-15-18-13)4(19)1-6(25-10)11(23)24/h1,4-5,8-10,19-20,22H,2-3H2,(H,16,21)(H,23,24)/t4-,5+,8+,9+,10+/m0/s1
InChIKeyAVDBZBDBFJBQOS-NCJYIMSCSA-N
MW357.28 g/mol
LogP-1.46
Rot. Bonds8

About (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 71473543) has the molecular formula C11H15N7O7 and a molecular weight of 357.28 g/mol. Its IUPAC name is (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID71473543
Molecular FormulaC11H15N7O7
Molecular Weight357.28 g/mol
Exact Mass357.10
IUPAC Name(2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILES[N-]=[N+]=NCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])OC(C(=O)O)=C[C@@H]1O
InChIInChI=1S/C11H15N7O7/c12-17-14-2-5(20)9(22)10-8(16-7(21)3-15-18-13)4(19)1-6(25-10)11(23)24/h1,4-5,8-10,19-20,22H,2-3H2,(H,16,21)(H,23,24)/t4-,5+,8+,9+,10+/m0/s1
InChIKeyAVDBZBDBFJBQOS-NCJYIMSCSA-N
XLogP-1.46
TPSA233.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 71473543) is (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is [N-]=[N+]=NCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])OC(C(=O)O)=C[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is AVDBZBDBFJBQOS-NCJYIMSCSA-N. The full InChI is InChI=1S/C11H15N7O7/c12-17-14-2-5(20)9(22)10-8(16-7(21)3-15-18-13)4(19)1-6(25-10)11(23)24/h1,4-5,8-10,19-20,22H,2-3H2,(H,16,21)(H,23,24)/t4-,5+,8+,9+,10+/m0/s1.
What are the key properties of (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 357.28 g/mol, XLogP of -1.46, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-[(2-azidoacetyl)amino]-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 71473543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).