(2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol

C14H19N3O4 — CID 101128013

IUPAC(2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19N3O4/c1-9-11(16-17-15)12(18)13(14(19-2)21-9)20-8-10-6-4-3-5-7-10/h3-7,9,11-14,18H,8H2,1-2H3/t9-,11-,12-,13-,14+/m1/s1
InChIKeyNJWFNXBLKYYKER-FZGMBXNASA-N
MW293.32 g/mol
LogP2.00
Rot. Bonds5

About (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol

(2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol (PubChem CID 101128013) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol
PubChem CID101128013
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19N3O4/c1-9-11(16-17-15)12(18)13(14(19-2)21-9)20-8-10-6-4-3-5-7-10/h3-7,9,11-14,18H,8H2,1-2H3/t9-,11-,12-,13-,14+/m1/s1
InChIKeyNJWFNXBLKYYKER-FZGMBXNASA-N
XLogP2.00
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol with MolForge

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Related Compounds

Benzyl beta-d-glucopyranoside
CID 188977
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 4984739
Benzyl Alpha-D-Mannopyranoside
CID 10956572
2,4-O-Benzylidenehexitol
CID 247001
beta-D-Galactopyranoside, phenylmethyl
CID 11032917
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(R)-isocyano(phenyl)methoxy]oxane-3,4,5-triol
CID 23641103
3-Amino-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-2-ol
CID 238131
(5-Amino-4-azido-3,6-bis-benzyloxy-tetrahydro-pyran-2-yl)-methanol
CID 20979040
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-3-phenylmethoxyoxan-4-ol
CID 137651356
(2S,3R,4S,5S,6R)-5-amino-2-(aminomethyl)-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-3-phenylmethoxyoxan-4-ol
CID 137654916
Benzyl glucopyranoside
CID 11076492
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol?
The IUPAC name of (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol (CID 101128013) is (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol is CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol?
The InChIKey is NJWFNXBLKYYKER-FZGMBXNASA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-11(16-17-15)12(18)13(14(19-2)21-9)20-8-10-6-4-3-5-7-10/h3-7,9,11-14,18H,8H2,1-2H3/t9-,11-,12-,13-,14+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol?
(2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol has a molecular weight of 293.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 101128013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).