(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

C9H18N2O7 — CID 121291183

IUPAC(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
SMILESNC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)CC(O)[C@H]1N
InChIInChI=1S/C9H18N2O7/c10-2-4(13)6(14)7-5(11)3(12)1-9(17,18-7)8(15)16/h3-7,12-14,17H,1-2,10-11H2,(H,15,16)/t3?,4-,5-,6-,7?,9?/m1/s1
InChIKeyHSAHCCZLXSYWQC-QCLVCUAJSA-N
MW266.25 g/mol
LogP-4.08
Rot. Bonds4

About (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 121291183) has the molecular formula C9H18N2O7 and a molecular weight of 266.25 g/mol. Its IUPAC name is (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID121291183
Molecular FormulaC9H18N2O7
Molecular Weight266.25 g/mol
Exact Mass266.11
IUPAC Name(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
SMILESNC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)CC(O)[C@H]1N
InChIInChI=1S/C9H18N2O7/c10-2-4(13)6(14)7-5(11)3(12)1-9(17,18-7)8(15)16/h3-7,12-14,17H,1-2,10-11H2,(H,15,16)/t3?,4-,5-,6-,7?,9?/m1/s1
InChIKeyHSAHCCZLXSYWQC-QCLVCUAJSA-N
XLogP-4.08
TPSA179.49 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.25
LogP ≤ 5-4.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (CID 121291183) is (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid is NC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)CC(O)[C@H]1N.
What is the InChIKey of (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is HSAHCCZLXSYWQC-QCLVCUAJSA-N. The full InChI is InChI=1S/C9H18N2O7/c10-2-4(13)6(14)7-5(11)3(12)1-9(17,18-7)8(15)16/h3-7,12-14,17H,1-2,10-11H2,(H,15,16)/t3?,4-,5-,6-,7?,9?/m1/s1.
What are the key properties of (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of -4.08, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 121291183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).