[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea

C6H12N2O5 — CID 11658434

IUPAC[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea
SMILESNC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12N2O5/c7-6(12)8-5-4(11)3(10)2(1-9)13-5/h2-5,9-11H,1H2,(H3,7,8,12)/t2-,3-,4-,5-/m1/s1
InChIKeyASPRZJIKTWDCAP-TXICZTDVSA-N
MW192.17 g/mol
LogP-2.91
Rot. Bonds2

About [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea

[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea (PubChem CID 11658434) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea
PubChem CID11658434
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea
SMILESNC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12N2O5/c7-6(12)8-5-4(11)3(10)2(1-9)13-5/h2-5,9-11H,1H2,(H3,7,8,12)/t2-,3-,4-,5-/m1/s1
InChIKeyASPRZJIKTWDCAP-TXICZTDVSA-N
XLogP-2.91
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea?
The IUPAC name of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea (CID 11658434) is [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea.
What is the SMILES notation for [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea?
The canonical SMILES for [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea is NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea?
The InChIKey is ASPRZJIKTWDCAP-TXICZTDVSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-6(12)8-5-4(11)3(10)2(1-9)13-5/h2-5,9-11H,1H2,(H3,7,8,12)/t2-,3-,4-,5-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea?
[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea has a molecular weight of 192.17 g/mol, XLogP of -2.91, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea is sourced from PubChem (CID 11658434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).