(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C6H11NO3 — CID 126688683

IUPAC(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESN[C@H]1COC2C1OC[C@@H]2O
InChIInChI=1S/C6H11NO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2,7H2/t3-,4-,5?,6?/m0/s1
InChIKeyNTIGTCIZCBNMIP-LRUBVUKESA-N
MW145.16 g/mol
LogP-1.53
Rot. Bonds

About (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 126688683) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID126688683
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESN[C@H]1COC2C1OC[C@@H]2O
InChIInChI=1S/C6H11NO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2,7H2/t3-,4-,5?,6?/m0/s1
InChIKeyNTIGTCIZCBNMIP-LRUBVUKESA-N
XLogP-1.53
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 126688683) is (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is N[C@H]1COC2C1OC[C@@H]2O.
What is the InChIKey of (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is NTIGTCIZCBNMIP-LRUBVUKESA-N. The full InChI is InChI=1S/C6H11NO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2,7H2/t3-,4-,5?,6?/m0/s1.
What are the key properties of (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 145.16 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 126688683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).