(3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol

C10H18O9 — CID 90857116

IUPAC(3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@](O)([C@@]2(O)COC[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C10H18O9/c11-1-5-7(14)10(17,8(15)19-5)9(16)3-18-2-4(12)6(9)13/h4-8,11-17H,1-3H2/t4-,5-,6+,7-,8+,9-,10+/m1/s1
InChIKeyNTOCSWODHIFTTA-VSVGJDJUSA-N
MW282.25 g/mol
LogP-4.73
Rot. Bonds2

About (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol

(3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol (PubChem CID 90857116) has the molecular formula C10H18O9 and a molecular weight of 282.25 g/mol. Its IUPAC name is (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol
PubChem CID90857116
Molecular FormulaC10H18O9
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name(3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@](O)([C@@]2(O)COC[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C10H18O9/c11-1-5-7(14)10(17,8(15)19-5)9(16)3-18-2-4(12)6(9)13/h4-8,11-17H,1-3H2/t4-,5-,6+,7-,8+,9-,10+/m1/s1
InChIKeyNTOCSWODHIFTTA-VSVGJDJUSA-N
XLogP-4.73
TPSA160.07 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-4.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol (CID 90857116) is (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol is OC[C@H]1O[C@H](O)[C@](O)([C@@]2(O)COC[C@@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol?
The InChIKey is NTOCSWODHIFTTA-VSVGJDJUSA-N. The full InChI is InChI=1S/C10H18O9/c11-1-5-7(14)10(17,8(15)19-5)9(16)3-18-2-4(12)6(9)13/h4-8,11-17H,1-3H2/t4-,5-,6+,7-,8+,9-,10+/m1/s1.
What are the key properties of (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol?
(3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol has a molecular weight of 282.25 g/mol, XLogP of -4.73, 2 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxane-3,4,5-triol is sourced from PubChem (CID 90857116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).