(1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol

C7H13N3O4 — CID 131056653

IUPAC(1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol
SMILESNC1=N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2N1
InChIInChI=1S/C7H13N3O4/c8-7-9-3-4(13)5(2(12)1-11)14-6(3)10-7/h2-6,11-13H,1H2,(H3,8,9,10)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyHJVSZKNCUNPUKD-UKFBFLRUSA-N
MW203.20 g/mol
LogP-3.29
Rot. Bonds2

About (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol

(1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol (PubChem CID 131056653) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol
PubChem CID131056653
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol
SMILESNC1=N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2N1
InChIInChI=1S/C7H13N3O4/c8-7-9-3-4(13)5(2(12)1-11)14-6(3)10-7/h2-6,11-13H,1H2,(H3,8,9,10)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyHJVSZKNCUNPUKD-UKFBFLRUSA-N
XLogP-3.29
TPSA120.33 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-3.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol with MolForge

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Related Compounds

(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 101201136
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2S,3R,4R,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 134823873
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol (CID 131056653) is (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol is NC1=N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2N1.
What is the InChIKey of (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol?
The InChIKey is HJVSZKNCUNPUKD-UKFBFLRUSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-7-9-3-4(13)5(2(12)1-11)14-6(3)10-7/h2-6,11-13H,1H2,(H3,8,9,10)/t2-,3-,4-,5-,6+/m1/s1.
What are the key properties of (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol?
(1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol has a molecular weight of 203.20 g/mol, XLogP of -3.29, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,5S,6R,6aR)-2-amino-6-hydroxy-3a,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 131056653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).