(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol

C8H14N2O5 — CID 68625067

IUPAC(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1OC(NC2=NCCO2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14N2O5/c11-3-4-5(12)6(13)7(15-4)10-8-9-1-2-14-8/h4-7,11-13H,1-3H2,(H,9,10)/t4-,5-,6+,7?/m1/s1
InChIKeyYLNBRRPOLBIBKL-FTFTVQOISA-N
MW218.21 g/mol
LogP-2.60
Rot. Bonds2

About (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol

(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 68625067) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID68625067
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1OC(NC2=NCCO2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14N2O5/c11-3-4-5(12)6(13)7(15-4)10-8-9-1-2-14-8/h4-7,11-13H,1-3H2,(H,9,10)/t4-,5-,6+,7?/m1/s1
InChIKeyYLNBRRPOLBIBKL-FTFTVQOISA-N
XLogP-2.60
TPSA103.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2S,5R)-2-[4-[[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]anilino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11836445
(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
(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
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
(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,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]anilino]oxane-3,4,5-triol
CID 124766547
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
CID 10761383
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol
CID 57224028
(2S,3S,4R,5S,6S)-2-[4,5-dimethyl-2-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]anilino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 51443483
(3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25250791

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol (CID 68625067) is (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1OC(NC2=NCCO2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YLNBRRPOLBIBKL-FTFTVQOISA-N. The full InChI is InChI=1S/C8H14N2O5/c11-3-4-5(12)6(13)7(15-4)10-8-9-1-2-14-8/h4-7,11-13H,1-3H2,(H,9,10)/t4-,5-,6+,7?/m1/s1.
What are the key properties of (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol?
(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 218.21 g/mol, XLogP of -2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 68625067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).