(2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide

C7H13NO6 — CID 91313490

IUPAC(2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(C=O)C(N)=O
InChIInChI=1S/C7H13NO6/c1-3(10)4(11)5(12)7(14,2-9)6(8)13/h2-5,10-12,14H,1H3,(H2,8,13)/t3-,4-,5+,7+/m1/s1
InChIKeyIKWYCXZOCCMJEF-CXXDYQFHSA-N
MW207.18 g/mol
LogP-3.50
Rot. Bonds5

About (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide

(2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide (PubChem CID 91313490) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide
PubChem CID91313490
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name(2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(C=O)C(N)=O
InChIInChI=1S/C7H13NO6/c1-3(10)4(11)5(12)7(14,2-9)6(8)13/h2-5,10-12,14H,1H3,(H2,8,13)/t3-,4-,5+,7+/m1/s1
InChIKeyIKWYCXZOCCMJEF-CXXDYQFHSA-N
XLogP-3.50
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-3.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide (CID 91313490) is (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide is C[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(C=O)C(N)=O.
What is the InChIKey of (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide?
The InChIKey is IKWYCXZOCCMJEF-CXXDYQFHSA-N. The full InChI is InChI=1S/C7H13NO6/c1-3(10)4(11)5(12)7(14,2-9)6(8)13/h2-5,10-12,14H,1H3,(H2,8,13)/t3-,4-,5+,7+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide?
(2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide has a molecular weight of 207.18 g/mol, XLogP of -3.50, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-formyl-2,3,4,5-tetrahydroxyhexanamide is sourced from PubChem (CID 91313490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).