(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol

C9H14ClNO5 — CID 11043207

IUPAC(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)Cc1cc(CCl)on1
InChIInChI=1S/C9H14ClNO5/c10-3-6-1-5(11-16-6)2-7(13)9(15)8(14)4-12/h1,7-9,12-15H,2-4H2/t7-,8-,9+/m1/s1
InChIKeyZVMBHGZPMJMDSQ-HLTSFMKQSA-N
MW251.67 g/mol
LogP-0.97
Rot. Bonds6

About (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol

(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol (PubChem CID 11043207) has the molecular formula C9H14ClNO5 and a molecular weight of 251.67 g/mol. Its IUPAC name is (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol
PubChem CID11043207
Molecular FormulaC9H14ClNO5
Molecular Weight251.67 g/mol
Exact Mass251.06
IUPAC Name(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)Cc1cc(CCl)on1
InChIInChI=1S/C9H14ClNO5/c10-3-6-1-5(11-16-6)2-7(13)9(15)8(14)4-12/h1,7-9,12-15H,2-4H2/t7-,8-,9+/m1/s1
InChIKeyZVMBHGZPMJMDSQ-HLTSFMKQSA-N
XLogP-0.97
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol (CID 11043207) is (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@H](O)Cc1cc(CCl)on1.
What is the InChIKey of (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol?
The InChIKey is ZVMBHGZPMJMDSQ-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H14ClNO5/c10-3-6-1-5(11-16-6)2-7(13)9(15)8(14)4-12/h1,7-9,12-15H,2-4H2/t7-,8-,9+/m1/s1.
What are the key properties of (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol?
(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol has a molecular weight of 251.67 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 11043207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).