(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide

C7H13NO5 — CID 57115755

IUPAC(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide
SMILESNC(=O)[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO5/c8-7(12)3-2-13-4(1-9)6(11)5(3)10/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1
InChIKeyJMQHYWSJMQRMOE-KVTDHHQDSA-N
MW191.18 g/mol
LogP-2.80
Rot. Bonds2

About (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide

(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide (PubChem CID 57115755) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide
PubChem CID57115755
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide
SMILESNC(=O)[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO5/c8-7(12)3-2-13-4(1-9)6(11)5(3)10/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1
InChIKeyJMQHYWSJMQRMOE-KVTDHHQDSA-N
XLogP-2.80
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide?
The IUPAC name of (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide (CID 57115755) is (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide.
What is the SMILES notation for (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide?
The canonical SMILES for (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide is NC(=O)[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide?
The InChIKey is JMQHYWSJMQRMOE-KVTDHHQDSA-N. The full InChI is InChI=1S/C7H13NO5/c8-7(12)3-2-13-4(1-9)6(11)5(3)10/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1.
What are the key properties of (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide?
(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide has a molecular weight of 191.18 g/mol, XLogP of -2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxane-3-carboxamide is sourced from PubChem (CID 57115755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).