(2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol

C19H23N3O6 — CID 163062519

IUPAC(2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol
SMILESCO[C@@H]1[C@@H](O)[C@@H](OC)[C@H](Oc2cc(/C=N\O)nc(-c3ccccn3)c2)O[C@H]1C
InChIInChI=1S/C19H23N3O6/c1-11-17(25-2)16(23)18(26-3)19(27-11)28-13-8-12(10-21-24)22-15(9-13)14-6-4-5-7-20-14/h4-11,16-19,23-24H,1-3H3/b21-10-/t11-,16+,17-,18+,19-/m0/s1
InChIKeyPOGOTIXPZKEDKH-NOXWKEDJSA-N
MW389.41 g/mol
LogP1.47
Rot. Bonds6

About (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol

(2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol (PubChem CID 163062519) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol
PubChem CID163062519
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name(2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol
SMILESCO[C@@H]1[C@@H](O)[C@@H](OC)[C@H](Oc2cc(/C=N\O)nc(-c3ccccn3)c2)O[C@H]1C
InChIInChI=1S/C19H23N3O6/c1-11-17(25-2)16(23)18(26-3)19(27-11)28-13-8-12(10-21-24)22-15(9-13)14-6-4-5-7-20-14/h4-11,16-19,23-24H,1-3H3/b21-10-/t11-,16+,17-,18+,19-/m0/s1
InChIKeyPOGOTIXPZKEDKH-NOXWKEDJSA-N
XLogP1.47
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol (CID 163062519) is (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol is CO[C@@H]1[C@@H](O)[C@@H](OC)[C@H](Oc2cc(/C=N\O)nc(-c3ccccn3)c2)O[C@H]1C.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol?
The InChIKey is POGOTIXPZKEDKH-NOXWKEDJSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-11-17(25-2)16(23)18(26-3)19(27-11)28-13-8-12(10-21-24)22-15(9-13)14-6-4-5-7-20-14/h4-11,16-19,23-24H,1-3H3/b21-10-/t11-,16+,17-,18+,19-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol?
(2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol has a molecular weight of 389.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-[[2-[(Z)-hydroxyiminomethyl]-6-pyridin-2-yl-4-pyridinyl]oxy]-3,5-dimethoxy-6-methyloxan-4-ol is sourced from PubChem (CID 163062519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).