[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate

C13H23NO12 — CID 173142557

IUPAC[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
SMILESO=C(N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H23NO12/c15-1-4-6(18)8(20)9(21)11(24-4)14-12(23)26-13(3-17)10(22)7(19)5(2-16)25-13/h4-11,15-22H,1-3H2,(H,14,23)/t4-,5-,6-,7-,8+,9-,10+,11+,13-/m1/s1
InChIKeyWRIWZDCCOIBNSE-JRXIZNNKSA-N
MW385.32 g/mol
LogP-5.69
Rot. Bonds5

About [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate

[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate (PubChem CID 173142557) has the molecular formula C13H23NO12 and a molecular weight of 385.32 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
PubChem CID173142557
Molecular FormulaC13H23NO12
Molecular Weight385.32 g/mol
Exact Mass385.12
IUPAC Name[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
SMILESO=C(N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H23NO12/c15-1-4-6(18)8(20)9(21)11(24-4)14-12(23)26-13(3-17)10(22)7(19)5(2-16)25-13/h4-11,15-22H,1-3H2,(H,14,23)/t4-,5-,6-,7-,8+,9-,10+,11+,13-/m1/s1
InChIKeyWRIWZDCCOIBNSE-JRXIZNNKSA-N
XLogP-5.69
TPSA218.63 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500385.32
LogP ≤ 5-5.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate?
The IUPAC name of [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate (CID 173142557) is [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate.
What is the SMILES notation for [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate?
The canonical SMILES for [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate is O=C(N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate?
The InChIKey is WRIWZDCCOIBNSE-JRXIZNNKSA-N. The full InChI is InChI=1S/C13H23NO12/c15-1-4-6(18)8(20)9(21)11(24-4)14-12(23)26-13(3-17)10(22)7(19)5(2-16)25-13/h4-11,15-22H,1-3H2,(H,14,23)/t4-,5-,6-,7-,8+,9-,10+,11+,13-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate?
[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate has a molecular weight of 385.32 g/mol, XLogP of -5.69, 5 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate is sourced from PubChem (CID 173142557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).