(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol

C8H14O6 — CID 148911726

IUPAC(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol
SMILESOCC1OC2(O)C1C(O)[C@H](O)C2CO
InChIInChI=1S/C8H14O6/c9-1-3-6(11)7(12)5-4(2-10)14-8(3,5)13/h3-7,9-13H,1-2H2/t3?,4?,5?,6-,7?,8?/m1/s1
InChIKeyPITMIKIONKMZEJ-ISLPSWPGSA-N
MW206.19 g/mol
LogP-2.97
Rot. Bonds2

About (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol

(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol (PubChem CID 148911726) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol.

Molecular Properties

Compound Name(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol
PubChem CID148911726
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol
SMILESOCC1OC2(O)C1C(O)[C@H](O)C2CO
InChIInChI=1S/C8H14O6/c9-1-3-6(11)7(12)5-4(2-10)14-8(3,5)13/h3-7,9-13H,1-2H2/t3?,4?,5?,6-,7?,8?/m1/s1
InChIKeyPITMIKIONKMZEJ-ISLPSWPGSA-N
XLogP-2.97
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-imino-5,5,7,7-tetramethyl-11-[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]undecan-3-one
CID 123927216
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(1R,3R,4S,5S,6S)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]heptane-4,5,6-triol
CID 23638223
4-amino-1-(ethylideneamino)-2,9,9,11,11-pentamethyl-14-[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]tetradec-1-en-5-one
CID 123419827
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 173117466
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
1-[(2R,3R,4S,5S,6R)-3-amino-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140653624
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol?
The IUPAC name of (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol (CID 148911726) is (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol.
What is the SMILES notation for (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol?
The canonical SMILES for (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol is OCC1OC2(O)C1C(O)[C@H](O)C2CO.
What is the InChIKey of (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol?
The InChIKey is PITMIKIONKMZEJ-ISLPSWPGSA-N. The full InChI is InChI=1S/C8H14O6/c9-1-3-6(11)7(12)5-4(2-10)14-8(3,5)13/h3-7,9-13H,1-2H2/t3?,4?,5?,6-,7?,8?/m1/s1.
What are the key properties of (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol?
(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol has a molecular weight of 206.19 g/mol, XLogP of -2.97, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol is sourced from PubChem (CID 148911726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).