(5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol

C6H10N2O4 — CID 101418461

IUPAC(5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
SMILESNC1=NC2O[C@H](CO)[C@@H](O)[C@H]2O1
InChIInChI=1S/C6H10N2O4/c7-6-8-5-4(12-6)3(10)2(1-9)11-5/h2-5,9-10H,1H2,(H2,7,8)/t2-,3-,4-,5?/m1/s1
InChIKeyIVFVSTOFYHUJRU-SOOFDHNKSA-N
MW174.16 g/mol
LogP-2.22
Rot. Bonds1

About (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol

(5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol (PubChem CID 101418461) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol.

Molecular Properties

Compound Name(5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
PubChem CID101418461
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol
SMILESNC1=NC2O[C@H](CO)[C@@H](O)[C@H]2O1
InChIInChI=1S/C6H10N2O4/c7-6-8-5-4(12-6)3(10)2(1-9)11-5/h2-5,9-10H,1H2,(H2,7,8)/t2-,3-,4-,5?/m1/s1
InChIKeyIVFVSTOFYHUJRU-SOOFDHNKSA-N
XLogP-2.22
TPSA97.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-(2-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101182288
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
10-amino-4-(hydroxymethyl)-3,7-dioxa-9-aza-1-azoniatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-5-ol chloride
CID 74324882
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(3aR,4R,5S,6R,6aR)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5,6-triol
CID 10314929
(3aS,4S,5S,6R,7S,7aS)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-4,5,6,7-tetrol
CID 10474058
(2S,3S,3aS,6aS)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11148015

Frequently Asked Questions

What is the IUPAC name of (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol?
The IUPAC name of (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol (CID 101418461) is (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol.
What is the SMILES notation for (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol?
The canonical SMILES for (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol is NC1=NC2O[C@H](CO)[C@@H](O)[C@H]2O1.
What is the InChIKey of (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol?
The InChIKey is IVFVSTOFYHUJRU-SOOFDHNKSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6-8-5-4(12-6)3(10)2(1-9)11-5/h2-5,9-10H,1H2,(H2,7,8)/t2-,3-,4-,5?/m1/s1.
What are the key properties of (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol?
(5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol has a molecular weight of 174.16 g/mol, XLogP of -2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,6aR)-2-amino-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-6-ol is sourced from PubChem (CID 101418461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).